BindingDB logo
myBDB logout

Patent code US10335409

Compile Data Set for Download or QSAR
Found 178 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403592
PNG
(Preparation of (1aR,5S,8S,9S,10R,22aR)-5-tert-buty...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C39H52F2N6O9S/c1-6-23-29-19-47(30(23)33(48)45-39(18-24(39)32(40)41)36(50)46-57(52,53)22-13-14-22)35(49)31(38(2,3)4)44-37(51)56-28-16-20(28)10-8-7-9-11-26-34(55-29)43-27-17-21(54-5)12-15-25(27)42-26/h12,15,17,20,22-24,28-32H,6-11,13-14,16,18-19H2,1-5H3,(H,44,51)(H,45,48)(H,46,50)/t20-,23-,24+,28-,29+,30+,31-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0100n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403653
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC1(C)CC1CCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1C(F)(F)C=C
Show InChI InChI=1S/C38H52F2N4O7/c1-12-15-16-22-20-37(22,10)51-34(47)43-30(35(4,5)6)32(45)44-21-27(24(13-2)28(44)33(46)50-36(7,8)9)49-31-29(38(39,40)14-3)41-25-18-17-23(48-11)19-26(25)42-31/h12,14,17-19,22,24,27-28,30H,1,3,13,15-16,20-21H2,2,4-11H3,(H,43,47)/t22?,24-,27+,28+,30-,37?/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0100n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403609
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-1-...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C38H50F2N6O9S/c1-19-28-18-46(29(19)32(47)44-38(17-23(38)31(39)40)35(49)45-56(51,52)22-12-13-22)34(48)30(37(2,3)4)43-36(50)55-27-15-20(27)9-7-6-8-10-25-33(54-28)42-26-16-21(53-5)11-14-24(26)41-25/h11,14,16,19-20,22-23,27-31H,6-10,12-13,15,17-18H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/t19-,20-,23+,27-,28+,29+,30-,38-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0200n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403677
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-14-chloro-N-[...)
Show SMILES C[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(Cl)ccc2nc1C(F)(F)C=C
Show InChI InChI=1S/C26H32ClF2N3O5/c1-9-26(28,29)20-21(31-17-12-15(27)10-11-16(17)30-20)35-18-13-32(23(34)37-25(6,7)8)19(14(18)2)22(33)36-24(3,4)5/h9-12,14,18-19H,1,13H2,2-8H3/t14-,18+,19+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0200n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403676
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-14-cyano-N-[(...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(cc3nc1O2)C#N)C(C)(C)C
Show InChI InChI=1S/C40H49F4N7O8S/c1-6-22-27-19-51(28(22)32(52)49-39(17-23(39)31(41)42)35(54)50-60(56,57)38(5)13-14-38)34(53)30(37(2,3)4)48-36(55)59-26-16-21(26)9-7-8-12-40(43,44)29-33(58-27)47-25-15-20(18-45)10-11-24(25)46-29/h10-11,15,21-23,26-28,30-31H,6-9,12-14,16-17,19H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/t21-,22-,23+,26-,27+,28+,30-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0200n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403661
PNG
((4aR,8S,11S,12S,13R,25aR)-8-tert-butyl-N-[(1R,2R)-...)
Show SMILES COc1ccc2nc3CCCCC[C@H]4C5CC(C5)C[C@@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(O)=O)C(C)(C)C
Show InChI InChI=1S/C34H46N4O7/c1-18-27-17-38(28(18)32(40)41)31(39)29(34(2,3)4)37-33(42)45-26-15-19-13-20(14-19)22(26)9-7-6-8-10-24-30(44-27)36-25-16-21(43-5)11-12-23(25)35-24/h11-12,16,18-20,22,26-29H,6-10,13-15,17H2,1-5H3,(H,37,42)(H,40,41)/t18-,19?,20?,22+,26+,27+,28+,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403628
PNG
((1aR,5S,8S,9S,10R,22aR)—N-[(1R,2R)-2-(difluor...)
Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCCC=C)C3(C)CCCC3)nc2c1
Show InChI InChI=1S/C36H49ClN4O7/c1-8-9-10-13-22-18-26(22)47-34(44)40-29(36(6)16-11-12-17-36)32(42)41-20-27(21(2)28(41)33(43)48-35(3,4)5)46-31-30(37)38-24-15-14-23(45-7)19-25(24)39-31/h8,14-15,19,21-22,26-29H,1,9-13,16-18,20H2,2-7H3,(H,40,44)/t21-,22-,26-,27+,28+,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403643
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-1-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccccc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C38H48F4N6O8S/c1-5-21-26-18-48(27(21)31(49)46-37(17-22(37)30(39)40)34(51)47-57(53,54)20-13-14-20)33(50)29(36(2,3)4)45-35(52)56-25-16-19(25)10-8-9-15-38(41,42)28-32(55-26)44-24-12-7-6-11-23(24)43-28/h6-7,11-12,19-22,25-27,29-30H,5,8-10,13-18H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/t19-,21-,22+,25-,26+,27+,29-,37-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403666
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC3(C)CC3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C
Show InChI InChI=1S/C37H50F2N4O7/c1-12-14-15-22-19-36(22,10)50-33(46)42-29(34(4,5)6)31(44)43-20-26(21(3)27(43)32(45)49-35(7,8)9)48-30-28(37(38,39)13-2)40-24-17-16-23(47-11)18-25(24)41-30/h12-13,16-18,21-22,26-27,29H,1-2,14-15,19-20H2,3-11H3,(H,42,46)/t21-,22?,26+,27+,29-,36?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403591
PNG
(Preparation of (1aR,5S,8S,9S,10R,22aR)-5-tert-buty...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C25H34ClN3O6/c1-9-15-18(33-21-20(26)27-16-11-10-14(32-8)12-17(16)28-21)13-29(23(31)35-25(5,6)7)19(15)22(30)34-24(2,3)4/h10-12,15,18-19H,9,13H2,1-8H3/t15-,18+,19+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403653
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC1(C)CC1CCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1C(F)(F)C=C
Show InChI InChI=1S/C38H52F2N4O7/c1-12-15-16-22-20-37(22,10)51-34(47)43-30(35(4,5)6)32(45)44-21-27(24(13-2)28(44)33(46)50-36(7,8)9)49-31-29(38(39,40)14-3)41-25-18-17-23(48-11)19-26(25)42-31/h12,14,17-19,22,24,27-28,30H,1,3,13,15-16,20-21H2,2,4-11H3,(H,43,47)/t22?,24-,27+,28+,30-,37?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403623
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES COc1ccc2nc(C=C)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@H]3C[C@H]4C[C@H]4[C@@H]3CCCC=C)C(C)(C)C)nc2c1
Show InChI InChI=1S/C39H54N4O7/c1-11-13-14-15-25-26-18-23(26)19-30(25)49-37(46)42-33(38(4,5)6)35(44)43-21-31(22(3)32(43)36(45)50-39(7,8)9)48-34-27(12-2)40-28-17-16-24(47-10)20-29(28)41-34/h11-12,16-17,20,22-23,25-26,30-33H,1-2,13-15,18-19,21H2,3-10H3,(H,42,46)/t22-,23-,25+,26-,30+,31+,32+,33-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403636
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C
Show InChI InChI=1S/C36H48F2N4O7/c1-11-13-14-21-17-25(21)48-33(45)41-29(34(4,5)6)31(43)42-19-26(20(3)27(42)32(44)49-35(7,8)9)47-30-28(36(37,38)12-2)39-23-16-15-22(46-10)18-24(23)40-30/h11-12,15-16,18,20-21,25-27,29H,1-2,13-14,17,19H2,3-10H3,(H,41,45)/t20-,21-,25-,26+,27+,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403664
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(F)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C39H51F3N6O9S/c1-6-22-28-19-48(29(22)32(49)46-39(18-23(39)31(40)41)35(51)47-58(53,54)38(42)14-15-38)34(50)30(37(2,3)4)45-36(52)57-27-16-20(27)10-8-7-9-11-25-33(56-28)44-26-17-21(55-5)12-13-24(26)43-25/h12-13,17,20,22-23,27-31H,6-11,14-16,18-19H2,1-5H3,(H,45,52)(H,46,49)(H,47,51)/t20-,22-,23+,27-,28+,29+,30-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403665
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-1-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(Cl)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C39H51ClF2N6O9S/c1-6-22-28-19-48(29(22)32(49)46-39(18-23(39)31(41)42)35(51)47-58(53,54)38(40)14-15-38)34(50)30(37(2,3)4)45-36(52)57-27-16-20(27)10-8-7-9-11-25-33(56-28)44-26-17-21(55-5)12-13-24(26)43-25/h12-13,17,20,22-23,27-31H,6-11,14-16,18-19H2,1-5H3,(H,45,52)(H,46,49)(H,47,51)/t20-,22-,23+,27-,28+,29+,30-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403634
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC3(C)CC3CCCC=C)C(C)(C)C)nc2c1
Show InChI InChI=1S/C35H49ClN4O7/c1-11-12-13-14-21-18-35(21,9)47-32(43)39-27(33(3,4)5)30(41)40-19-25(20(2)26(40)31(42)46-34(6,7)8)45-29-28(36)37-23-16-15-22(44-10)17-24(23)38-29/h11,15-17,20-21,25-27H,1,12-14,18-19H2,2-10H3,(H,39,43)/t20-,21?,25+,26+,27-,35?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403652
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@@H]4C[C@@H]4[C@H]3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C
Show InChI InChI=1S/C39H52F2N4O7/c1-11-13-14-24-25-17-22(25)18-28(24)51-36(48)44-32(37(4,5)6)34(46)45-20-29(21(3)30(45)35(47)52-38(7,8)9)50-33-31(39(40,41)12-2)42-26-16-15-23(49-10)19-27(26)43-33/h11-12,15-16,19,21-22,24-25,28-30,32H,1-2,13-14,17-18,20H2,3-10H3,(H,44,48)/t21-,22+,24-,25+,28-,29+,30+,32-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403674
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-14-(difluorom...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(OC(F)F)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C40H50F6N6O9S/c1-6-21-26-18-52(27(21)31(53)50-39(17-22(39)30(41)42)34(55)51-62(57,58)38(5)13-14-38)33(54)29(37(2,3)4)49-36(56)61-25-15-19(25)9-7-8-12-40(45,46)28-32(60-26)48-24-16-20(59-35(43)44)10-11-23(24)47-28/h10-11,16,19,21-22,25-27,29-30,35H,6-9,12-15,17-18H2,1-5H3,(H,49,56)(H,50,53)(H,51,55)/t19-,21-,22+,25-,26+,27+,29-,39-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403678
PNG
((1aR,5S,8S,9S,10R,19E,22aR)-5-tert-butyl-N-[(1R,2R...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CC\C=C\C(F)(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C40H50F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h9,11-13,17,20,22-23,26-28,30-31H,7-8,10,14-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/b13-9+/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403608
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCCC=C)C(C)(C)C)nc2c1
Show InChI InChI=1S/C34H47ClN4O7/c1-10-11-12-13-20-16-24(20)45-32(42)38-27(33(3,4)5)30(40)39-18-25(19(2)26(39)31(41)46-34(6,7)8)44-29-28(35)36-22-15-14-21(43-9)17-23(22)37-29/h10,14-15,17,19-20,24-27H,1,11-13,16,18H2,2-9H3,(H,38,42)/t19-,20-,24-,25+,26+,27-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403617
PNG
((3aR,7S10S,1S,12R,24aR)-7-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3CCC[C@H]3CCCC=C)C(C)(C)C)nc2c1
Show InChI InChI=1S/C36H51ClN4O7/c1-10-11-12-14-22-15-13-16-26(22)47-34(44)40-29(35(3,4)5)32(42)41-20-27(21(2)28(41)33(43)48-36(6,7)8)46-31-30(37)38-24-18-17-23(45-9)19-25(24)39-31/h10,17-19,21-22,26-29H,1,11-16,20H2,2-9H3,(H,40,44)/t21-,22-,26-,27+,28+,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403618
PNG
((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-N-[(1R,2R)-...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4CCC[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C40H54F2N6O9S/c1-21-30-20-48(31(21)34(49)46-40(19-25(40)33(41)42)37(51)47-58(53,54)24-15-16-24)36(50)32(39(2,3)4)45-38(52)57-29-13-9-11-22(29)10-7-6-8-12-27-35(56-30)44-28-18-23(55-5)14-17-26(28)43-27/h14,17-18,21-22,24-25,29-33H,6-13,15-16,19-20H2,1-5H3,(H,45,52)(H,46,49)(H,47,51)/t21-,22-,25+,29-,30+,31+,32-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403671
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES C[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]3C[C@@H]3[C@H]1CCCCC(F)(F)c1nc3ccccc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C41H52F4N6O8S/c1-20-28-19-51(29(20)33(52)49-40(18-24(40)32(42)43)36(54)50-60(56,57)39(5)14-15-39)35(53)31(38(2,3)4)48-37(55)59-27-17-21-16-23(21)22(27)10-8-9-13-41(44,45)30-34(58-28)47-26-12-7-6-11-25(26)46-30/h6-7,11-12,20-24,27-29,31-32H,8-10,13-19H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/t20-,21+,22-,23+,24+,27-,28+,29+,31-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403670
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES COc1ccc2nc3c(O[C@H]4CN([C@@H]([C@@H]4C)C(=O)N[C@@]4(C[C@H]4C(F)F)C(=O)NS(=O)(=O)C4(C)CC4)C(=O)[C@@H](NC(=O)O[C@@H]4C[C@@H]5C[C@@H]5[C@H]4CCCCC3(F)F)C(C)(C)C)nc2c1
Show InChI InChI=1S/C42H54F4N6O9S/c1-20-29-19-52(30(20)34(53)50-41(18-25(41)33(43)44)37(55)51-62(57,58)40(5)13-14-40)36(54)32(39(2,3)4)49-38(56)61-28-16-21-15-24(21)23(28)9-7-8-12-42(45,46)31-35(60-29)48-27-17-22(59-6)10-11-26(27)47-31/h10-11,17,20-21,23-25,28-30,32-33H,7-9,12-16,18-19H2,1-6H3,(H,49,56)(H,50,53)(H,51,55)/t20-,21+,23-,24+,25+,28-,29+,30+,32-,41-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403675
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES C[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(F)ccc2nc1Cl
Show InChI InChI=1S/C23H29ClFN3O5/c1-12-16(31-19-18(24)26-14-9-8-13(25)10-15(14)27-19)11-28(21(30)33-23(5,6)7)17(12)20(29)32-22(2,3)4/h8-10,12,16-17H,11H2,1-7H3/t12-,16+,17+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403607
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(OC)ccc2nc1C(F)(F)C=C
Show InChI InChI=1S/C28H37F2N3O6/c1-10-17-20(15-33(25(35)39-27(6,7)8)21(17)24(34)38-26(3,4)5)37-23-22(28(29,30)11-2)31-18-13-12-16(36-9)14-19(18)32-23/h11-14,17,20-21H,2,10,15H2,1,3-9H3/t17-,20+,21+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403635
PNG
((1aS,5S,8S,9S,10R,22aS)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc3CCCCC[C@H]4C[C@]4(C)OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C
Show InChI InChI=1S/C40H54F2N6O9S/c1-21-28-20-48(29(21)32(49)46-40(19-24(40)31(41)42)35(51)47-58(53,54)38(5)15-16-38)34(50)30(37(2,3)4)45-36(52)57-39(6)18-22(39)11-9-8-10-12-26-33(56-28)44-27-17-23(55-7)13-14-25(27)43-26/h13-14,17,21-22,24,28-31H,8-12,15-16,18-20H2,1-7H3,(H,45,52)(H,46,49)(H,47,51)/t21-,22+,24+,28+,29+,30-,39+,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403649
PNG
((1aS,2aR,6S,9S,10 S,11R,23aR,23bS)-6-tert-butyl-N-...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2[C@H]1CCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1C(F)(F)C=C
Show InChI InChI=1S/C40H54F2N4O7/c1-11-14-15-25-26-18-22(26)19-29(25)52-37(49)45-33(38(4,5)6)35(47)46-21-30(24(12-2)31(46)36(48)53-39(7,8)9)51-34-32(40(41,42)13-3)43-27-17-16-23(50-10)20-28(27)44-34/h11,13,16-17,20,22,24-26,29-31,33H,1,3,12,14-15,18-19,21H2,2,4-10H3,(H,45,49)/t22-,24+,25+,26-,29+,30-,31-,33+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403603
PNG
((1R,4S,4aR,8S,11S,12S,13R,25aR)-8-tert-butyl-N-[(1...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C39H55ClN4O7/c1-10-12-13-14-26-22-15-16-23(19-22)31(26)50-37(47)43-32(38(3,4)5)35(45)44-21-29(25(11-2)30(44)36(46)51-39(6,7)8)49-34-33(40)41-27-18-17-24(48-9)20-28(27)42-34/h10,17-18,20,22-23,25-26,29-32H,1,11-16,19,21H2,2-9H3,(H,43,47)/t22-,23+,25+,26-,29-,30-,31-,32+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403657
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2S)-2-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C41H56F2N6O9S/c1-7-25-30-21-49(32(25)34(50)47-41(20-23(41)18-31(42)43)37(52)48-59(54,55)40(5)15-16-40)36(51)33(39(2,3)4)46-38(53)58-29-17-22(29)11-9-8-10-12-27-35(57-30)45-28-19-24(56-6)13-14-26(28)44-27/h13-14,19,22-23,25,29-33H,7-12,15-18,20-21H2,1-6H3,(H,46,53)(H,47,50)(H,48,52)/t22-,23-,25-,29-,30+,32+,33-,41-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403673
PNG
((1aR,5S,8S,9S,10R,19E,22aR)-5-tert-butyl-14-cyano-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CC\C=C\C(F)(F)C1Nc3ccc(cc3N=C1O2)C#N)C(C)(C)C
Show InChI InChI=1S/C40H49F4N7O8S/c1-6-22-27-19-51(28(22)32(52)49-39(17-23(39)31(41)42)35(54)50-60(56,57)38(5)13-14-38)34(53)30(37(2,3)4)48-36(55)59-26-16-21(26)9-7-8-12-40(43,44)29-33(58-27)47-25-15-20(18-45)10-11-24(25)46-29/h8,10-12,15,21-23,26-31,46H,6-7,9,13-14,16-17,19H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/b12-8+/t21-,22-,23+,26-,27+,28+,29?,30-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403650
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-1-...)
Show SMILES CCC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1C(F)(F)C=C
Show InChI InChI=1S/C38H52F2N4O7/c1-11-14-16-22-19-27(22)50-35(47)43-31(36(4,5)6)33(45)44-21-28(24(15-12-2)29(44)34(46)51-37(7,8)9)49-32-30(38(39,40)13-3)41-25-18-17-23(48-10)20-26(25)42-32/h11,13,17-18,20,22,24,27-29,31H,1,3,12,14-16,19,21H2,2,4-10H3,(H,43,47)/t22-,24-,27-,28+,29+,31-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403656
PNG
((4aR,8S,11 S,12S,13R,25aR)-8-tert-butyl-N-[(1R,2R)...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@H]1CCC=C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C42H56F2N6O9S/c1-6-26-32-22-50(33(26)36(51)48-42(21-27(42)35(43)44)39(53)49-60(55,56)25-17-18-25)38(52)34(41(2,3)4)47-40(54)59-31-15-11-10-13-23(31)12-8-7-9-14-29-37(58-32)46-30-20-24(57-5)16-19-28(30)45-29/h10,13,16,19-20,23,25-27,31-35H,6-9,11-12,14-15,17-18,21-22H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/t23-,26-,27+,31-,32+,33+,34-,42-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403595
PNG
(Preparation of (3aR,7S,10S,11S,12R,24aR)-7-tert-bu...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1CCC[C@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C37H53ClN4O7/c1-10-12-13-15-22-16-14-17-27(22)48-35(45)41-30(36(3,4)5)33(43)42-21-28(24(11-2)29(42)34(44)49-37(6,7)8)47-32-31(38)39-25-19-18-23(46-9)20-26(25)40-32/h10,18-20,22,24,27-30H,1,11-17,21H2,2-9H3,(H,41,45)/t22-,24-,27-,28+,29+,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403652
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@@H]4C[C@@H]4[C@H]3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C
Show InChI InChI=1S/C39H52F2N4O7/c1-11-13-14-24-25-17-22(25)18-28(24)51-36(48)44-32(37(4,5)6)34(46)45-20-29(21(3)30(45)35(47)52-38(7,8)9)50-33-31(39(40,41)12-2)42-26-16-15-23(49-10)19-27(26)43-33/h11-12,15-16,19,21-22,24-25,28-30,32H,1-2,13-14,17-18,20H2,3-10H3,(H,44,48)/t21-,22+,24-,25+,28-,29+,30+,32-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403592
PNG
(Preparation of (1aR,5S,8S,9S,10R,22aR)-5-tert-buty...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C39H52F2N6O9S/c1-6-23-29-19-47(30(23)33(48)45-39(18-24(39)32(40)41)36(50)46-57(52,53)22-13-14-22)35(49)31(38(2,3)4)44-37(51)56-28-16-20(28)10-8-7-9-11-26-34(55-29)43-27-17-21(54-5)12-15-25(27)42-26/h12,15,17,20,22-24,28-32H,6-11,13-14,16,18-19H2,1-5H3,(H,44,51)(H,45,48)(H,46,50)/t20-,23-,24+,28-,29+,30+,31-,39-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403639
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4[C@H]5C[C@H]5C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C
Show InChI InChI=1S/C42H56F2N6O9S/c1-21-31-20-50(32(21)35(51)48-42(19-26(42)34(43)44)38(53)49-60(55,56)41(5)14-15-41)37(52)33(40(2,3)4)47-39(54)59-30-17-22-16-25(22)24(30)10-8-7-9-11-28-36(58-31)46-29-18-23(57-6)12-13-27(29)45-28/h12-13,18,21-22,24-26,30-34H,7-11,14-17,19-20H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t21-,22+,24-,25+,26+,30-,31+,32+,33-,42-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403671
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES C[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]3C[C@@H]3[C@H]1CCCCC(F)(F)c1nc3ccccc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C41H52F4N6O8S/c1-20-28-19-51(29(20)33(52)49-40(18-24(40)32(42)43)36(54)50-60(56,57)39(5)14-15-39)35(53)31(38(2,3)4)48-37(55)59-27-17-21-16-23(21)22(27)10-8-9-13-41(44,45)30-34(58-28)47-26-12-7-6-11-25(26)46-30/h6-7,11-12,20-24,27-29,31-32H,8-10,13-19H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/t20-,21+,22-,23+,24+,27-,28+,29+,31-,40-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403615
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2S)-2-...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C
Show InChI InChI=1S/C40H54F2N6O9S/c1-21-29-20-48(31(21)33(49)46-40(19-23(40)17-30(41)42)36(51)47-58(53,54)39(5)14-15-39)35(50)32(38(2,3)4)45-37(52)57-28-16-22(28)10-8-7-9-11-26-34(56-29)44-27-18-24(55-6)12-13-25(27)43-26/h12-13,18,21-23,28-32H,7-11,14-17,19-20H2,1-6H3,(H,45,52)(H,46,49)(H,47,51)/t21-,22-,23-,28-,29+,31+,32-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403676
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-14-cyano-N-[(...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(cc3nc1O2)C#N)C(C)(C)C
Show InChI InChI=1S/C40H49F4N7O8S/c1-6-22-27-19-51(28(22)32(52)49-39(17-23(39)31(41)42)35(54)50-60(56,57)38(5)13-14-38)34(53)30(37(2,3)4)48-36(55)59-26-16-21(26)9-7-8-12-40(43,44)29-33(58-27)47-25-15-20(18-45)10-11-24(25)46-29/h10-11,15,21-23,26-28,30-31H,6-9,12-14,16-17,19H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/t21-,22-,23+,26-,27+,28+,30-,39-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403614
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2S)-1-...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C39H52F2N6O9S/c1-20-29-19-47(31(20)33(48)45-39(18-22(39)16-30(40)41)36(50)46-57(52,53)24-12-13-24)35(49)32(38(2,3)4)44-37(51)56-28-15-21(28)9-7-6-8-10-26-34(55-29)43-27-17-23(54-5)11-14-25(27)42-26/h11,14,17,20-22,24,28-32H,6-10,12-13,15-16,18-19H2,1-5H3,(H,44,51)(H,45,48)(H,46,50)/t20-,21-,22-,28-,29+,31+,32-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403670
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES COc1ccc2nc3c(O[C@H]4CN([C@@H]([C@@H]4C)C(=O)N[C@@]4(C[C@H]4C(F)F)C(=O)NS(=O)(=O)C4(C)CC4)C(=O)[C@@H](NC(=O)O[C@@H]4C[C@@H]5C[C@@H]5[C@H]4CCCCC3(F)F)C(C)(C)C)nc2c1
Show InChI InChI=1S/C42H54F4N6O9S/c1-20-29-19-52(30(20)34(53)50-41(18-25(41)33(43)44)37(55)51-62(57,58)40(5)13-14-40)36(54)32(39(2,3)4)49-38(56)61-28-16-21-15-24(21)23(28)9-7-8-12-42(45,46)31-35(60-29)48-27-17-22(59-6)10-11-26(27)47-31/h10-11,17,20-21,23-25,28-30,32-33H,7-9,12-16,18-19H2,1-6H3,(H,49,56)(H,50,53)(H,51,55)/t20-,21+,23-,24+,25+,28-,29+,30+,32-,41-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403605
PNG
((1aR,5S,8S,9S,10R,22aR)-5-cyclopentyl-N-[(1R,2R)-1...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C1CCCC1
Show InChI InChI=1S/C40H52F2N6O9S/c1-3-25-31-20-48(33(25)35(49)46-40(19-26(40)34(41)42)38(51)47-58(53,54)24-14-15-24)37(50)32(21-9-7-8-10-21)45-39(52)57-30-17-22(30)11-5-4-6-12-28-36(56-31)44-29-18-23(55-2)13-16-27(29)43-28/h13,16,18,21-22,24-26,30-34H,3-12,14-15,17,19-20H2,1-2H3,(H,45,52)(H,46,49)(H,47,51)/t22-,25-,26+,30-,31+,32+,33+,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403616
PNG
((1R,4S,4aR,8S,11S,12S,13R,25aR)-8-tert-butyl-N-[(1...)
Show SMILES COC(=O)[C@@H]1[C@H](C)[C@H](CN1C(=O)[C@@H](NC(=O)O[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1C=C
Show InChI InChI=1S/C37H50N4O7/c1-9-11-12-13-25-22-14-15-23(18-22)31(25)48-36(44)40-32(37(4,5)6)34(42)41-20-29(21(3)30(41)35(43)46-8)47-33-26(10-2)38-27-17-16-24(45-7)19-28(27)39-33/h9-10,16-17,19,21-23,25,29-32H,1-2,11-15,18,20H2,3-8H3,(H,40,44)/t21-,22+,23-,25+,29+,30+,31+,32-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403678
PNG
((1aR,5S,8S,9S,10R,19E,22aR)-5-tert-butyl-N-[(1R,2R...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CC\C=C\C(F)(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C40H50F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h9,11-13,17,20,22-23,26-28,30-31H,7-8,10,14-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/b13-9+/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403674
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-14-(difluorom...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(OC(F)F)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C40H50F6N6O9S/c1-6-21-26-18-52(27(21)31(53)50-39(17-22(39)30(41)42)34(55)51-62(57,58)38(5)13-14-38)33(54)29(37(2,3)4)49-36(56)61-25-15-19(25)9-7-8-12-40(45,46)28-32(60-26)48-24-16-20(59-35(43)44)10-11-23(24)47-28/h10-11,16,19,21-22,25-27,29-30,35H,6-9,12-15,17-18H2,1-5H3,(H,49,56)(H,50,53)(H,51,55)/t19-,21-,22+,25-,26+,27+,29-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403597
PNG
(Preparation of (1aR,5S,8S,9S,10R,22aR)-5-tert-buty...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC1(C)CC1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C36H51ClN4O7/c1-11-13-14-15-21-19-36(21,9)48-33(44)40-28(34(3,4)5)31(42)41-20-26(23(12-2)27(41)32(43)47-35(6,7)8)46-30-29(37)38-24-17-16-22(45-10)18-25(24)39-30/h11,16-18,21,23,26-28H,1,12-15,19-20H2,2-10H3,(H,40,44)/t21?,23-,26+,27+,28-,36?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403660
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2[C@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C38H53ClN4O7/c1-10-12-13-14-24-25-17-21(25)18-28(24)49-36(46)42-31(37(3,4)5)34(44)43-20-29(23(11-2)30(43)35(45)50-38(6,7)8)48-33-32(39)40-26-16-15-22(47-9)19-27(26)41-33/h10,15-16,19,21,23-25,28-31H,1,11-14,17-18,20H2,2-9H3,(H,42,46)/t21-,23+,24+,25-,28+,29-,30-,31+/m0/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403658
PNG
((4aR,8S,11 S,12S,13R,25aS)-8-tert-butyl-N-[(1R,2R)...)
Show SMILES COc1ccc2nc3c(O[C@H]4CN([C@@H]([C@@H]4C)C(=O)N[C@@]4(C[C@H]4C(F)F)C(=O)NS(=O)(=O)C4CC4)C(=O)[C@@H](NC(=O)O[C@@H]4CCC=C[C@H]4CCCCC3(F)F)C(C)(C)C)nc2c1
Show InChI InChI=1S/C41H52F4N6O9S/c1-21-29-20-51(30(21)34(52)49-40(19-25(40)33(42)43)37(54)50-61(56,57)24-14-15-24)36(53)32(39(2,3)4)48-38(55)60-28-12-7-6-10-22(28)11-8-9-17-41(44,45)31-35(59-29)47-27-18-23(58-5)13-16-26(27)46-31/h6,10,13,16,18,21-22,24-25,28-30,32-33H,7-9,11-12,14-15,17,19-20H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/t21-,22+,25+,28-,29+,30+,32-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403660
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2[C@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C38H53ClN4O7/c1-10-12-13-14-24-25-17-21(25)18-28(24)49-36(46)42-31(37(3,4)5)34(44)43-20-29(23(11-2)30(43)35(45)50-38(6,7)8)48-33-32(39)40-26-16-15-22(47-9)19-27(26)41-33/h10,15-16,19,21,23-25,28-31H,1,11-14,17-18,20H2,2-9H3,(H,42,46)/t21-,23+,24+,25-,28+,29-,30-,31+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403662
PNG
((4aS,8S,11S,12S,13R,25aS)-8-tert-butyl-N-[(1R,2R)-...)
Show SMILES COc1ccc2nc3CCCCC[C@H]4C5CC(C5)C[C@@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C42H56F2N6O9S/c1-21-32-20-50(33(21)36(51)48-42(19-27(42)35(43)44)39(53)49-60(55,56)25-12-13-25)38(52)34(41(2,3)4)47-40(54)59-31-17-22-15-23(16-22)26(31)9-7-6-8-10-29-37(58-32)46-30-18-24(57-5)11-14-28(30)45-29/h11,14,18,21-23,25-27,31-35H,6-10,12-13,15-17,19-20H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/t21-,22?,23?,26+,27+,31+,32+,33+,34-,42-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403636
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C
Show InChI InChI=1S/C36H48F2N4O7/c1-11-13-14-21-17-25(21)48-33(45)41-29(34(4,5)6)31(43)42-19-26(20(3)27(42)32(44)49-35(7,8)9)47-30-28(36(37,38)12-2)39-23-16-15-22(46-10)18-24(23)40-30/h11-12,15-16,18,20-21,25-27,29H,1-2,13-14,17,19H2,3-10H3,(H,41,45)/t20-,21-,25-,26+,27+,29-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403623
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES COc1ccc2nc(C=C)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@H]3C[C@H]4C[C@H]4[C@@H]3CCCC=C)C(C)(C)C)nc2c1
Show InChI InChI=1S/C39H54N4O7/c1-11-13-14-15-25-26-18-23(26)19-30(25)49-37(46)42-33(38(4,5)6)35(44)43-21-31(22(3)32(43)36(45)50-39(7,8)9)48-34-27(12-2)40-28-17-16-24(47-10)20-29(28)41-34/h11-12,16-17,20,22-23,25-26,30-33H,1-2,13-15,18-19,21H2,3-10H3,(H,42,46)/t22-,23-,25+,26-,30+,31+,32+,33-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0600n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403651
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]3C[C@@H]3[C@H]1CCCCC(F)(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C43H56F4N6O9S/c1-7-23-30-20-53(31(23)35(54)51-42(19-26(42)34(44)45)38(56)52-63(58,59)41(5)14-15-41)37(55)33(40(2,3)4)50-39(57)62-29-17-21-16-25(21)24(29)10-8-9-13-43(46,47)32-36(61-30)49-28-18-22(60-6)11-12-27(28)48-32/h11-12,18,21,23-26,29-31,33-34H,7-10,13-17,19-20H2,1-6H3,(H,50,57)(H,51,54)(H,52,56)/t21-,23+,24+,25-,26-,29+,30-,31-,33+,42+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0600n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403668
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-15-...)
Show SMILES C[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2[C@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(Cl)ccc2nc1Cl
Show InChI InChI=1S/C36H48Cl2N4O6/c1-9-10-11-12-22-23-15-20(23)16-26(22)47-34(45)41-29(35(3,4)5)32(43)42-18-27(19(2)28(42)33(44)48-36(6,7)8)46-31-30(38)39-24-14-13-21(37)17-25(24)40-31/h9,13-14,17,19-20,22-23,26-29H,1,10-12,15-16,18H2,2-8H3,(H,41,45)/t19-,20+,22-,23+,26-,27+,28+,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0600n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403668
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-15-...)
Show SMILES C[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2[C@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(Cl)ccc2nc1Cl
Show InChI InChI=1S/C36H48Cl2N4O6/c1-9-10-11-12-22-23-15-20(23)16-26(22)47-34(45)41-29(35(3,4)5)32(43)42-18-27(19(2)28(42)33(44)48-36(6,7)8)46-31-30(38)39-24-14-13-21(37)17-25(24)40-31/h9,13-14,17,19-20,22-23,26-29H,1,10-12,15-16,18H2,2-8H3,(H,41,45)/t19-,20+,22-,23+,26-,27+,28+,29-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0600n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403607
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(OC)ccc2nc1C(F)(F)C=C
Show InChI InChI=1S/C28H37F2N3O6/c1-10-17-20(15-33(25(35)39-27(6,7)8)21(17)24(34)38-26(3,4)5)37-23-22(28(29,30)11-2)31-18-13-12-16(36-9)14-19(18)32-23/h11-14,17,20-21H,2,10,15H2,1,3-9H3/t17-,20+,21+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0600n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403666
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC3(C)CC3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C
Show InChI InChI=1S/C37H50F2N4O7/c1-12-14-15-22-19-36(22,10)50-33(46)42-29(34(4,5)6)31(44)43-20-26(21(3)27(43)32(45)49-35(7,8)9)48-30-28(37(38,39)13-2)40-24-17-16-23(47-11)18-25(24)41-30/h12-13,16-18,21-22,26-27,29H,1-2,14-15,19-20H2,3-11H3,(H,42,46)/t21-,22?,26+,27+,29-,36?/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0600n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403679
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C40H53F3N6O9S/c1-7-22-28-19-49(30(22)33(50)47-40(18-23(40)32(42)43)36(52)48-59(54,55)39(5)14-15-39)35(51)31(38(2,3)4)46-37(53)58-27-16-20(27)10-8-9-11-24(41)29-34(57-28)45-26-17-21(56-6)12-13-25(26)44-29/h12-13,17,20,22-24,27-28,30-32H,7-11,14-16,18-19H2,1-6H3,(H,46,53)(H,47,50)(H,48,52)/t20-,22-,23+,24?,27-,28+,30+,31-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0600n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403619
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CCC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C36H51ClN4O7/c1-10-12-13-15-21-18-26(21)47-34(44)40-29(35(3,4)5)32(42)41-20-27(23(14-11-2)28(41)33(43)48-36(6,7)8)46-31-30(37)38-24-17-16-22(45-9)19-25(24)39-31/h10,16-17,19,21,23,26-29H,1,11-15,18,20H2,2-9H3,(H,40,44)/t21-,23-,26-,27+,28+,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0600n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403597
PNG
(Preparation of (1aR,5S,8S,9S,10R,22aR)-5-tert-buty...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC1(C)CC1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C36H51ClN4O7/c1-11-13-14-15-21-19-36(21,9)48-33(44)40-28(34(3,4)5)31(42)41-20-26(23(12-2)27(41)32(43)47-35(6,7)8)46-30-29(37)38-24-17-16-22(45-10)18-25(24)39-30/h11,16-18,21,23,26-28H,1,12-15,19-20H2,2-10H3,(H,40,44)/t21?,23-,26+,27+,28-,36?/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0600n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403633
PNG
(US10335409, Example 43)
Show SMILES CC[C@]1(C[C@H]1CCCC=C)OC(=O)N[C@H](C(=O)N1C[C@H](Oc2nc3cc(OC)ccc3nc2Cl)[C@@H](C)[C@H]1C(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C36H51ClN4O7/c1-11-13-14-15-22-19-36(22,12-2)48-33(44)40-28(34(4,5)6)31(42)41-20-26(21(3)27(41)32(43)47-35(7,8)9)46-30-29(37)38-24-17-16-23(45-10)18-25(24)39-30/h11,16-18,21-22,26-28H,1,12-15,19-20H2,2-10H3,(H,40,44)/t21-,22-,26+,27+,28-,36-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0600n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403656
PNG
((4aR,8S,11 S,12S,13R,25aR)-8-tert-butyl-N-[(1R,2R)...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@H]1CCC=C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C42H56F2N6O9S/c1-6-26-32-22-50(33(26)36(51)48-42(21-27(42)35(43)44)39(53)49-60(55,56)25-17-18-25)38(52)34(41(2,3)4)47-40(54)59-31-15-11-10-13-23(31)12-8-7-9-14-29-37(58-32)46-30-20-24(57-5)16-19-28(30)45-29/h10,13,16,19-20,23,25-27,31-35H,6-9,11-12,14-15,17-18,21-22H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/t23-,26-,27+,31-,32+,33+,34-,42-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0600n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403649
PNG
((1aS,2aR,6S,9S,10 S,11R,23aR,23bS)-6-tert-butyl-N-...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2[C@H]1CCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1C(F)(F)C=C
Show InChI InChI=1S/C40H54F2N4O7/c1-11-14-15-25-26-18-22(26)19-29(25)52-37(49)45-33(38(4,5)6)35(47)46-21-30(24(12-2)31(46)36(48)53-39(7,8)9)51-34-32(40(41,42)13-3)43-27-17-16-23(50-10)20-28(27)44-34/h11,13,16-17,20,22,24-26,29-31,33H,1,3,12,14-15,18-19,21H2,2,4-10H3,(H,45,49)/t22-,24+,25+,26-,29+,30-,31-,33+/m0/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0600n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403625
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2S)-2-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C41H54F4N6O9S/c1-7-24-28-20-51(30(24)33(52)49-40(19-22(40)17-29(42)43)36(54)50-61(56,57)39(5)14-15-39)35(53)32(38(2,3)4)48-37(55)60-27-16-21(27)10-8-9-13-41(44,45)31-34(59-28)47-26-18-23(58-6)11-12-25(26)46-31/h11-12,18,21-22,24,27-30,32H,7-10,13-17,19-20H2,1-6H3,(H,48,55)(H,49,52)(H,50,54)/t21-,22-,24-,27-,28+,30+,32-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403639
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4[C@H]5C[C@H]5C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C
Show InChI InChI=1S/C42H56F2N6O9S/c1-21-31-20-50(32(21)35(51)48-42(19-26(42)34(43)44)38(53)49-60(55,56)41(5)14-15-41)37(52)33(40(2,3)4)47-39(54)59-30-17-22-16-25(22)24(30)10-8-7-9-11-28-36(58-31)46-29-18-23(57-6)12-13-27(29)45-28/h12-13,18,21-22,24-26,30-34H,7-11,14-17,19-20H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t21-,22+,24-,25+,26+,30-,31+,32+,33-,42-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403591
PNG
(Preparation of (1aR,5S,8S,9S,10R,22aR)-5-tert-buty...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C25H34ClN3O6/c1-9-15-18(33-21-20(26)27-16-11-10-14(32-8)12-17(16)28-21)13-29(23(31)35-25(5,6)7)19(15)22(30)34-24(2,3)4/h10-12,15,18-19H,9,13H2,1-8H3/t15-,18+,19+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403598
PNG
(Preparation of (1aS,5S,8S,9S,10R,22aS)-5-tert-buty...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@]1(C)C[C@@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C41H56F2N6O9S/c1-8-24-29-21-49(30(24)33(50)47-41(20-25(41)32(42)43)36(52)48-59(54,55)39(5)16-17-39)35(51)31(38(2,3)4)46-37(53)58-40(6)19-22(40)12-10-9-11-13-27-34(57-29)45-28-18-23(56-7)14-15-26(28)44-27/h14-15,18,22,24-25,29-32H,8-13,16-17,19-21H2,1-7H3,(H,46,53)(H,47,50)(H,48,52)/t22-,24+,25-,29-,30-,31+,40-,41+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403636
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C
Show InChI InChI=1S/C36H48F2N4O7/c1-11-13-14-21-17-25(21)48-33(45)41-29(34(4,5)6)31(43)42-19-26(20(3)27(42)32(44)49-35(7,8)9)47-30-28(36(37,38)12-2)39-23-16-15-22(46-10)18-24(23)40-30/h11-12,15-16,18,20-21,25-27,29H,1-2,13-14,17,19H2,3-10H3,(H,41,45)/t20-,21-,25-,26+,27+,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403659
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CCOc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](CC)[C@H]4C(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C36H52N4O7/c1-9-23-28-20-40(29(23)33(42)47-36(6,7)8)32(41)30(35(3,4)5)39-34(43)46-27-18-21(27)14-12-11-13-15-25-31(45-28)38-26-19-22(44-10-2)16-17-24(26)37-25/h16-17,19,21,23,27-30H,9-15,18,20H2,1-8H3,(H,39,43)/t21-,23-,27-,28+,29+,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403604
PNG
((1aR,5S,8S,9S,10R,22aR)-5-cyclopentyl-N-[(1R,2R)-2...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCC=C)C1CCCC1)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C36H49ClN4O7/c1-7-9-10-15-22-18-27(22)47-35(44)40-29(21-13-11-12-14-21)33(42)41-20-28(24(8-2)30(41)34(43)48-36(3,4)5)46-32-31(37)38-25-17-16-23(45-6)19-26(25)39-32/h7,16-17,19,21-22,24,27-30H,1,8-15,18,20H2,2-6H3,(H,40,44)/t22-,24-,27-,28+,29+,30+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403654
PNG
((1aS,5S,8S,9S,10R,22aS)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@]1(C)C[C@@H]1CCCCC(F)(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C41H54F4N6O9S/c1-8-23-27-20-51(28(23)32(52)49-40(19-24(40)31(42)43)35(54)50-61(56,57)38(5)15-16-38)34(53)30(37(2,3)4)48-36(55)60-39(6)18-21(39)11-9-10-14-41(44,45)29-33(59-27)47-26-17-22(58-7)12-13-25(26)46-29/h12-13,17,21,23-24,27-28,30-31H,8-11,14-16,18-20H2,1-7H3,(H,48,55)(H,49,52)(H,50,54)/t21-,23+,24-,27-,28-,30+,39-,40+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403675
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES C[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(F)ccc2nc1Cl
Show InChI InChI=1S/C23H29ClFN3O5/c1-12-16(31-19-18(24)26-14-9-8-13(25)10-15(14)27-19)11-28(21(30)33-23(5,6)7)17(12)20(29)32-22(2,3)4/h8-10,12,16-17H,11H2,1-7H3/t12-,16+,17+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403638
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C39H52N6O9S/c1-7-23-19-39(23,36(48)44-55(50,51)25-14-15-25)43-33(46)31-21(2)30-20-45(31)35(47)32(38(3,4)5)42-37(49)54-29-17-22(29)11-9-8-10-12-27-34(53-30)41-28-18-24(52-6)13-16-26(28)40-27/h7,13,16,18,21-23,25,29-32H,1,8-12,14-15,17,19-20H2,2-6H3,(H,42,49)(H,43,46)(H,44,48)/t21-,22-,23-,29-,30+,31+,32-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403647
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4[C@H]5C[C@H]5C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C42H56F2N6O9S/c1-21-32-20-50(34(21)36(51)48-42(19-23(42)17-33(43)44)39(53)49-60(55,56)25-12-13-25)38(52)35(41(2,3)4)47-40(54)59-31-16-22-15-27(22)26(31)9-7-6-8-10-29-37(58-32)46-30-18-24(57-5)11-14-28(30)45-29/h11,14,18,21-23,25-27,31-35H,6-10,12-13,15-17,19-20H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/t21-,22+,23-,26-,27+,31-,32+,34+,35-,42-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403612
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,25)-1-...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1CCF)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C39H53FN6O9S/c1-21-30-20-46(31(21)33(47)44-39(19-23(39)15-16-40)36(49)45-56(51,52)25-12-13-25)35(48)32(38(2,3)4)43-37(50)55-29-17-22(29)9-7-6-8-10-27-34(54-30)42-28-18-24(53-5)11-14-26(28)41-27/h11,14,18,21-23,25,29-32H,6-10,12-13,15-17,19-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/t21-,22-,23-,29-,30+,31+,32-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403655
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CCC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C41H54F4N6O9S/c1-7-10-23-28-20-51(29(23)33(52)49-40(19-24(40)32(42)43)36(54)50-61(56,57)39(5)15-16-39)35(53)31(38(2,3)4)48-37(55)60-27-17-21(27)11-8-9-14-41(44,45)30-34(59-28)47-26-18-22(58-6)12-13-25(26)46-30/h12-13,18,21,23-24,27-29,31-32H,7-11,14-17,19-20H2,1-6H3,(H,48,55)(H,49,52)(H,50,54)/t21-,23-,24+,27-,28+,29+,31-,40-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403648
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4[C@H]5C[C@H]5C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C
Show InChI InChI=1S/C43H58F2N6O9S/c1-22-32-21-51(34(22)36(52)49-43(20-24(43)18-33(44)45)39(54)50-61(56,57)42(5)14-15-42)38(53)35(41(2,3)4)48-40(55)60-31-17-23-16-27(23)26(31)10-8-7-9-11-29-37(59-32)47-30-19-25(58-6)12-13-28(30)46-29/h12-13,19,22-24,26-27,31-35H,7-11,14-18,20-21H2,1-6H3,(H,48,55)(H,49,52)(H,50,54)/t22-,23+,24-,26-,27+,31-,32+,34+,35-,43-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403650
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-1-...)
Show SMILES CCC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1C(F)(F)C=C
Show InChI InChI=1S/C38H52F2N4O7/c1-11-14-16-22-19-27(22)50-35(47)43-31(36(4,5)6)33(45)44-21-28(24(15-12-2)29(44)34(46)51-37(7,8)9)49-32-30(38(39,40)13-3)41-25-18-17-23(48-10)20-26(25)42-32/h11,13,17-18,20,22,24,27-29,31H,1,3,12,14-16,19,21H2,2,4-10H3,(H,43,47)/t22-,24-,27-,28+,29+,31-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0800n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403617
PNG
((3aR,7S10S,1S,12R,24aR)-7-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3CCC[C@H]3CCCC=C)C(C)(C)C)nc2c1
Show InChI InChI=1S/C36H51ClN4O7/c1-10-11-12-14-22-15-13-16-26(22)47-34(44)40-29(35(3,4)5)32(42)41-20-27(21(2)28(41)33(43)48-36(6,7)8)46-31-30(37)38-24-18-17-23(45-9)19-25(24)39-31/h10,17-19,21-22,26-29H,1,11-16,20H2,2-9H3,(H,40,44)/t21-,22-,26-,27+,28+,29-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0800n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403673
PNG
((1aR,5S,8S,9S,10R,19E,22aR)-5-tert-butyl-14-cyano-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CC\C=C\C(F)(F)C1Nc3ccc(cc3N=C1O2)C#N)C(C)(C)C
Show InChI InChI=1S/C40H49F4N7O8S/c1-6-22-27-19-51(28(22)32(52)49-39(17-23(39)31(41)42)35(54)50-60(56,57)38(5)13-14-38)34(53)30(37(2,3)4)48-36(55)59-26-16-21(26)9-7-8-12-40(43,44)29-33(58-27)47-25-15-20(18-45)10-11-24(25)46-29/h8,10-12,15,21-23,26-31,46H,6-7,9,13-14,16-17,19H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/b12-8+/t21-,22-,23+,26-,27+,28+,29?,30-,39-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0800n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403655
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CCC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C41H54F4N6O9S/c1-7-10-23-28-20-51(29(23)33(52)49-40(19-24(40)32(42)43)36(54)50-61(56,57)39(5)15-16-39)35(53)31(38(2,3)4)48-37(55)60-27-17-21(27)11-8-9-14-41(44,45)30-34(59-28)47-26-18-22(58-6)12-13-25(26)46-30/h12-13,18,21,23-24,27-29,31-32H,7-11,14-17,19-20H2,1-6H3,(H,48,55)(H,49,52)(H,50,54)/t21-,23-,24+,27-,28+,29+,31-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0800n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403618
PNG
((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-N-[(1R,2R)-...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4CCC[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C40H54F2N6O9S/c1-21-30-20-48(31(21)34(49)46-40(19-25(40)33(41)42)37(51)47-58(53,54)24-15-16-24)36(50)32(39(2,3)4)45-38(52)57-29-13-9-11-22(29)10-7-6-8-12-27-35(56-30)44-28-18-23(55-5)14-17-26(28)43-27/h14,17-18,21-22,24-25,29-33H,6-13,15-16,19-20H2,1-5H3,(H,45,52)(H,46,49)(H,47,51)/t21-,22-,25+,29-,30+,31+,32-,40-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0800n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403634
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC3(C)CC3CCCC=C)C(C)(C)C)nc2c1
Show InChI InChI=1S/C35H49ClN4O7/c1-11-12-13-14-21-18-35(21,9)47-32(43)39-27(33(3,4)5)30(41)40-19-25(20(2)26(40)31(42)46-34(6,7)8)45-29-28(36)37-23-16-15-22(44-10)17-24(23)38-29/h11,15-17,20-21,25-27H,1,12-14,18-19H2,2-10H3,(H,39,43)/t20-,21?,25+,26+,27-,35?/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0800n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403630
PNG
((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-N-[(1R,2R)-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@]1(C)CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C42H58F2N6O9S/c1-7-26-31-22-50(32(26)35(51)48-42(21-27(42)34(43)44)38(53)49-60(55,56)25-16-17-25)37(52)33(40(2,3)4)47-39(54)59-41(5)19-11-13-23(41)12-9-8-10-14-29-36(58-31)46-30-20-24(57-6)15-18-28(30)45-29/h15,18,20,23,25-27,31-34H,7-14,16-17,19,21-22H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t23-,26-,27+,31+,32+,33-,41-,42-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0800n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403629
PNG
((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-N-[(1R,2R)-...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC)C(=O)[C@@H](NC(=O)O[C@]1(C)CCC[C@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C35H49ClN4O7/c1-9-11-12-14-21-15-13-18-35(21,6)47-33(43)39-28(34(3,4)5)31(41)40-20-26(23(10-2)27(40)32(42)45-8)46-30-29(36)37-24-17-16-22(44-7)19-25(24)38-30/h9,16-17,19,21,23,26-28H,1,10-15,18,20H2,2-8H3,(H,39,43)/t21-,23-,26+,27+,28-,35-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0800n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403613
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2S)-2-...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1CCF)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C
Show InChI InChI=1S/C40H55FN6O9S/c1-22-30-21-47(31(22)33(48)45-40(20-24(40)14-17-41)36(50)46-57(52,53)39(5)15-16-39)35(49)32(38(2,3)4)44-37(51)56-29-18-23(29)10-8-7-9-11-27-34(55-30)43-28-19-25(54-6)12-13-26(28)42-27/h12-13,19,22-24,29-32H,7-11,14-18,20-21H2,1-6H3,(H,44,51)(H,45,48)(H,46,50)/t22-,23-,24-,29-,30+,31+,32-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0800n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403643
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-1-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccccc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C38H48F4N6O8S/c1-5-21-26-18-48(27(21)31(49)46-37(17-22(37)30(39)40)34(51)47-57(53,54)20-13-14-20)33(50)29(36(2,3)4)45-35(52)56-25-16-19(25)10-8-9-15-38(41,42)28-32(55-26)44-24-12-7-6-11-23(24)43-28/h6-7,11-12,19-22,25-27,29-30H,5,8-10,13-18H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/t19-,21-,22+,25-,26+,27+,29-,37-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0900n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403606
PNG
((1aR,5S,8S,9S,10R,22aR)-5-cyclohexyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCC=C)C1CCCCC1)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C37H51ClN4O7/c1-7-9-11-16-23-19-28(23)48-36(45)41-30(22-14-12-10-13-15-22)34(43)42-21-29(25(8-2)31(42)35(44)49-37(3,4)5)47-33-32(38)39-26-18-17-24(46-6)20-27(26)40-33/h7,17-18,20,22-23,25,28-31H,1,8-16,19,21H2,2-6H3,(H,41,45)/t23-,25-,28-,29+,30+,31+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0900n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403651
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]3C[C@@H]3[C@H]1CCCCC(F)(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C43H56F4N6O9S/c1-7-23-30-20-53(31(23)35(54)51-42(19-26(42)34(44)45)38(56)52-63(58,59)41(5)14-15-41)37(55)33(40(2,3)4)50-39(57)62-29-17-21-16-25(21)24(29)10-8-9-13-43(46,47)32-36(61-30)49-28-18-22(60-6)11-12-27(28)48-32/h11-12,18,21,23-26,29-31,33-34H,7-10,13-17,19-20H2,1-6H3,(H,50,57)(H,51,54)(H,52,56)/t21-,23+,24+,25-,26-,29+,30-,31-,33+,42+/m0/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0900n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403672
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(OC(F)(F)F)ccc2nc1C(F)(F)C=C
Show InChI InChI=1S/C28H34F5N3O6/c1-9-16-19(14-36(24(38)42-26(6,7)8)20(16)23(37)41-25(3,4)5)39-22-21(27(29,30)10-2)34-17-12-11-15(13-18(17)35-22)40-28(31,32)33/h10-13,16,19-20H,2,9,14H2,1,3-8H3/t16-,19+,20+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0900n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403638
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C39H52N6O9S/c1-7-23-19-39(23,36(48)44-55(50,51)25-14-15-25)43-33(46)31-21(2)30-20-45(31)35(47)32(38(3,4)5)42-37(49)54-29-17-22(29)11-9-8-10-12-27-34(53-30)41-28-18-24(52-6)13-16-26(28)40-27/h7,13,16,18,21-23,25,29-32H,1,8-12,14-15,17,19-20H2,2-6H3,(H,42,49)(H,43,46)(H,44,48)/t21-,22-,23-,29-,30+,31+,32-,39-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0900n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403645
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OCC(F)(F)F)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C36H49F3N4O7/c1-8-22-27-18-43(28(22)32(45)50-35(5,6)7)31(44)29(34(2,3)4)42-33(46)49-26-16-20(26)12-10-9-11-13-24-30(48-27)41-25-17-21(14-15-23(25)40-24)47-19-36(37,38)39/h14-15,17,20,22,26-29H,8-13,16,18-19H2,1-7H3,(H,42,46)/t20-,22-,26-,27+,28+,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0900n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403624
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-{(1R,2R)-1-...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](CC)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C40H54F2N6O9S/c1-7-22-19-39(22,36(51)47-58(53,54)24-13-14-24)46-33(49)30-25(8-2)29-20-48(30)35(50)32(38(3,4)5)45-37(52)57-28-17-21(28)11-9-10-16-40(41,42)31-34(56-29)44-27-18-23(55-6)12-15-26(27)43-31/h12,15,18,21-22,24-25,28-30,32H,7-11,13-14,16-17,19-20H2,1-6H3,(H,45,52)(H,46,49)(H,47,51)/t21-,22-,25-,28-,29+,30+,32-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403611
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](C)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C40H56N6O9S/c1-8-24-20-40(24,36(49)45-56(51,52)39(6)16-17-39)44-33(47)31-22(2)30-21-46(31)35(48)32(38(3,4)5)43-37(50)55-29-18-23(29)12-10-9-11-13-27-34(54-30)42-28-19-25(53-7)14-15-26(28)41-27/h14-15,19,22-24,29-32H,8-13,16-18,20-21H2,1-7H3,(H,43,50)(H,44,47)(H,45,49)/t22-,23-,24-,29-,30+,31+,32-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403608
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCCC=C)C(C)(C)C)nc2c1
Show InChI InChI=1S/C34H47ClN4O7/c1-10-11-12-13-20-16-24(20)45-32(42)38-27(33(3,4)5)30(40)39-18-25(19(2)26(39)31(41)46-34(6,7)8)44-29-28(35)36-22-15-14-21(43-9)17-23(22)37-29/h10,14-15,17,19-20,24-27H,1,11-13,16,18H2,2-9H3,(H,38,42)/t19-,20-,24-,25+,26+,27-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403627
PNG
((1R,4S,4aR,8S,11 S, 12S,13R,25aR)-8-tert-butyl-N-[...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1[C@H]3CC[C@H](C3)[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C44H60F2N6O9S/c1-7-26-32-22-52(33(26)37(53)50-44(21-28(44)36(45)46)40(55)51-62(57,58)43(5)17-18-43)39(54)35(42(2,3)4)49-41(56)61-34-24-14-13-23(19-24)27(34)11-9-8-10-12-30-38(60-32)48-31-20-25(59-6)15-16-29(31)47-30/h15-16,20,23-24,26-28,32-36H,7-14,17-19,21-22H2,1-6H3,(H,49,56)(H,50,53)(H,51,55)/t23-,24+,26-,27-,28+,32+,33+,34-,35-,44-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403632
PNG
((1aS,5S,8S,9S,10R,22aS)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@]1(C[C@@H]1CCCC=C)OC(=O)N[C@H](C(=O)N1C[C@H](Oc2nc3cc(OC)ccc3nc2Cl)[C@@H](C)[C@H]1C(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C36H51ClN4O7/c1-11-13-14-15-22-19-36(22,12-2)48-33(44)40-28(34(4,5)6)31(42)41-20-26(21(3)27(41)32(43)47-35(7,8)9)46-30-29(37)38-24-17-16-23(45-10)18-25(24)39-30/h11,16-18,21-22,26-28H,1,12-15,19-20H2,2-10H3,(H,40,44)/t21-,22+,26+,27+,28-,36+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403626
PNG
((1aR,5S,8S,9S,10R,21aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCC1CC1c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C36H50N4O7/c1-9-22-27-18-40(29(22)33(42)47-36(5,6)7)32(41)30(35(2,3)4)39-34(43)46-26-16-20(26)12-10-11-19-15-23(19)28-31(45-27)38-25-17-21(44-8)13-14-24(25)37-28/h13-14,17,19-20,22-23,26-27,29-30H,9-12,15-16,18H2,1-8H3,(H,39,43)/t19?,20-,22-,23?,26-,27+,29+,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403663
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-9-ethyl-14-me...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C40H56N6O9S/c1-8-25-30-21-46(31(25)33(47)44-40(20-22(40)2)36(49)45-56(51,52)39(6)16-17-39)35(48)32(38(3,4)5)43-37(50)55-29-18-23(29)12-10-9-11-13-27-34(54-30)42-28-19-24(53-7)14-15-26(28)41-27/h14-15,19,22-23,25,29-32H,8-13,16-18,20-21H2,1-7H3,(H,43,50)(H,44,47)(H,45,49)/t22-,23-,25-,29-,30+,31+,32-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.110n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403644
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-{(1R,2R)-1-...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](CC)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccccc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C39H52F2N6O8S/c1-6-22-19-38(22,35(50)46-56(52,53)23-15-16-23)45-32(48)29-24(7-2)28-20-47(29)34(49)31(37(3,4)5)44-36(51)55-27-18-21(27)12-10-11-17-39(40,41)30-33(54-28)43-26-14-9-8-13-25(26)42-30/h8-9,13-14,21-24,27-29,31H,6-7,10-12,15-20H2,1-5H3,(H,44,51)(H,45,48)(H,46,50)/t21-,22-,24-,27-,28+,29+,31-,38-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.110n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403665
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-1-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(Cl)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C39H51ClF2N6O9S/c1-6-22-28-19-48(29(22)32(49)46-39(18-23(39)31(41)42)35(51)47-58(53,54)38(40)14-15-38)34(50)30(37(2,3)4)45-36(52)57-27-16-20(27)10-8-7-9-11-25-33(56-28)44-26-17-21(55-5)12-13-24(26)43-25/h12-13,17,20,22-23,27-31H,6-11,14-16,18-19H2,1-5H3,(H,45,52)(H,46,49)(H,47,51)/t20-,22-,23+,27-,28+,29+,30-,39-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.120n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403610
PNG
((1aR,5S,8S,9S,9S,10R,22aR)-5-tert-butyl-N-{(1R,2R)...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](C)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C39H54N6O9S/c1-7-23-19-39(23,36(48)44-55(50,51)25-14-15-25)43-33(46)31-21(2)30-20-45(31)35(47)32(38(3,4)5)42-37(49)54-29-17-22(29)11-9-8-10-12-27-34(53-30)41-28-18-24(52-6)13-16-26(28)40-27/h13,16,18,21-23,25,29-32H,7-12,14-15,17,19-20H2,1-6H3,(H,42,49)(H,43,46)(H,44,48)/t21-,22-,23-,29-,30+,31+,32-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.120n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403619
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CCC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C36H51ClN4O7/c1-10-12-13-15-21-18-26(21)47-34(44)40-29(35(3,4)5)32(42)41-20-27(23(14-11-2)28(41)33(43)48-36(6,7)8)46-31-30(37)38-24-17-16-22(45-9)19-25(24)39-31/h10,16-17,19,21,23,26-29H,1,11-15,18,20H2,2-9H3,(H,40,44)/t21-,23-,26-,27+,28+,29-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.120n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403664
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(F)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C39H51F3N6O9S/c1-6-22-28-19-48(29(22)32(49)46-39(18-23(39)31(40)41)35(51)47-58(53,54)38(42)14-15-38)34(50)30(37(2,3)4)45-36(52)57-27-16-20(27)10-8-7-9-11-25-33(56-28)44-26-17-21(55-5)12-13-24(26)43-25/h12-13,17,20,22-23,27-31H,6-11,14-16,18-19H2,1-5H3,(H,45,52)(H,46,49)(H,47,51)/t20-,22-,23+,27-,28+,29+,30-,39-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.120n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403621
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-9-cyclopropyl...)
Show SMILES COC(=O)[C@@H]1[C@H](C2CC2)[C@H](CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C33H43ClN4O7/c1-7-8-9-10-19-15-23(19)45-32(41)37-27(33(2,3)4)30(39)38-17-24(25(18-11-12-18)26(38)31(40)43-6)44-29-28(34)35-21-14-13-20(42-5)16-22(21)36-29/h7,13-14,16,18-19,23-27H,1,8-12,15,17H2,2-6H3,(H,37,41)/t19-,23-,24+,25-,26+,27-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.130n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403609
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-1-...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C38H50F2N6O9S/c1-19-28-18-46(29(19)32(47)44-38(17-23(38)31(39)40)35(49)45-56(51,52)22-12-13-22)34(48)30(37(2,3)4)43-36(50)55-27-15-20(27)9-7-6-8-10-25-33(54-28)42-26-16-21(53-5)11-14-24(26)41-25/h11,14,16,19-20,22-23,27-31H,6-10,12-13,15,17-18H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/t19-,20-,23+,27-,28+,29+,30-,38-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.130n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403679
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C40H53F3N6O9S/c1-7-22-28-19-49(30(22)33(50)47-40(18-23(40)32(42)43)36(52)48-59(54,55)39(5)14-15-39)35(51)31(38(2,3)4)46-37(53)58-27-16-20(27)10-8-9-11-24(41)29-34(57-28)45-26-17-21(56-6)12-13-25(26)44-29/h12-13,17,20,22-24,27-28,30-32H,7-11,14-16,18-19H2,1-6H3,(H,46,53)(H,47,50)(H,48,52)/t20-,22-,23+,24?,27-,28+,30+,31-,40-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.130n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403661
PNG
((4aR,8S,11S,12S,13R,25aR)-8-tert-butyl-N-[(1R,2R)-...)
Show SMILES COc1ccc2nc3CCCCC[C@H]4C5CC(C5)C[C@@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(O)=O)C(C)(C)C
Show InChI InChI=1S/C34H46N4O7/c1-18-27-17-38(28(18)32(40)41)31(39)29(34(2,3)4)37-33(42)45-26-15-19-13-20(14-19)22(26)9-7-6-8-10-24-30(44-27)36-25-16-21(43-5)11-12-23(25)35-24/h11-12,16,18-20,22,26-29H,6-10,13-15,17H2,1-5H3,(H,37,42)(H,40,41)/t18-,19?,20?,22+,26+,27+,28+,29-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.140n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403620
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3CC(C)C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCCC=C)C(C)(C)C)nc2c1
Show InChI InChI=1S/C37H53ClN4O7/c1-11-12-13-14-22-18-27(22)48-35(45)41-30(36(4,5)6)33(43)42-20-28(24(17-21(2)3)29(42)34(44)49-37(7,8)9)47-32-31(38)39-25-16-15-23(46-10)19-26(25)40-32/h11,15-16,19,21-22,24,27-30H,1,12-14,17-18,20H2,2-10H3,(H,41,45)/t22-,24-,27-,28+,29+,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.140n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403599
PNG
((7S,10S,11S,12R)-7-tert-butyl-N-[(1R,2R)-2-(difluo...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC1(CCC[C@H]1CCCC=C)C(F)(F)F)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C38H52ClF3N4O7/c1-10-12-13-15-22-16-14-19-37(22,38(40,41)42)53-34(49)45-29(35(3,4)5)32(47)46-21-27(24(11-2)28(46)33(48)52-36(6,7)8)51-31-30(39)43-25-18-17-23(50-9)20-26(25)44-31/h10,17-18,20,22,24,27-29H,1,11-16,19,21H2,2-9H3,(H,45,49)/t22-,24-,27+,28+,29-,37?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.150n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403633
PNG
(US10335409, Example 43)
Show SMILES CC[C@]1(C[C@H]1CCCC=C)OC(=O)N[C@H](C(=O)N1C[C@H](Oc2nc3cc(OC)ccc3nc2Cl)[C@@H](C)[C@H]1C(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C36H51ClN4O7/c1-11-13-14-15-22-19-36(22,12-2)48-33(44)40-28(34(4,5)6)31(42)41-20-26(21(3)27(41)32(43)47-35(7,8)9)46-30-29(37)38-24-17-16-23(45-10)18-25(24)39-30/h11,16-18,21-22,26-28H,1,12-15,19-20H2,2-10H3,(H,40,44)/t21-,22-,26+,27+,28-,36-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.160n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403599
PNG
((7S,10S,11S,12R)-7-tert-butyl-N-[(1R,2R)-2-(difluo...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC1(CCC[C@H]1CCCC=C)C(F)(F)F)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C38H52ClF3N4O7/c1-10-12-13-15-22-16-14-19-37(22,38(40,41)42)53-34(49)45-29(35(3,4)5)32(47)46-21-27(24(11-2)28(46)33(48)52-36(6,7)8)51-31-30(39)43-25-18-17-23(50-9)20-26(25)44-31/h10,17-18,20,22,24,27-29H,1,11-16,19,21H2,2-9H3,(H,45,49)/t22-,24-,27+,28+,29-,37?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.160n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403616
PNG
((1R,4S,4aR,8S,11S,12S,13R,25aR)-8-tert-butyl-N-[(1...)
Show SMILES COC(=O)[C@@H]1[C@H](C)[C@H](CN1C(=O)[C@@H](NC(=O)O[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1C=C
Show InChI InChI=1S/C37H50N4O7/c1-9-11-12-13-25-22-14-15-23(18-22)31(25)48-36(44)40-32(37(4,5)6)34(42)41-20-29(21(3)30(41)35(43)46-8)47-33-26(10-2)38-27-17-16-24(45-7)19-28(27)39-33/h9-10,16-17,19,21-23,25,29-32H,1-2,11-15,18,20H2,3-8H3,(H,40,44)/t21-,22+,23-,25+,29+,30+,31+,32-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.170n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403594
PNG
(Preparation of (1aR,5S,8S,9S,10R,22aR)-5-tert-buty...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](CC)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C41H58N6O9S/c1-8-24-21-41(24,37(50)46-57(52,53)40(6)17-18-40)45-34(48)32-26(9-2)31-22-47(32)36(49)33(39(3,4)5)44-38(51)56-30-19-23(30)13-11-10-12-14-28-35(55-31)43-29-20-25(54-7)15-16-27(29)42-28/h15-16,20,23-24,26,30-33H,8-14,17-19,21-22H2,1-7H3,(H,44,51)(H,45,48)(H,46,50)/t23-,24-,26-,30-,31+,32+,33-,41-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.170n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403595
PNG
(Preparation of (3aR,7S,10S,11S,12R,24aR)-7-tert-bu...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1CCC[C@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C37H53ClN4O7/c1-10-12-13-15-22-16-14-17-27(22)48-35(45)41-30(36(3,4)5)33(43)42-21-28(24(11-2)29(42)34(44)49-37(6,7)8)47-32-31(38)39-25-19-18-23(46-9)20-26(25)40-32/h10,18-20,22,24,27-30H,1,11-17,21H2,2-9H3,(H,41,45)/t22-,24-,27-,28+,29+,30-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.170n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403659
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CCOc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](CC)[C@H]4C(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C36H52N4O7/c1-9-23-28-20-40(29(23)33(42)47-36(6,7)8)32(41)30(35(3,4)5)39-34(43)46-27-18-21(27)14-12-11-13-15-25-31(45-28)38-26-19-22(44-10-2)16-17-24(26)37-25/h16-17,19,21,23,27-30H,9-15,18,20H2,1-8H3,(H,39,43)/t21-,23-,27-,28+,29+,30-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.170n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403648
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4[C@H]5C[C@H]5C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C
Show InChI InChI=1S/C43H58F2N6O9S/c1-22-32-21-51(34(22)36(52)49-43(20-24(43)18-33(44)45)39(54)50-61(56,57)42(5)14-15-42)38(53)35(41(2,3)4)48-40(55)60-31-17-23-16-27(23)26(31)10-8-7-9-11-29-37(59-32)47-30-19-25(58-6)12-13-28(30)46-29/h12-13,19,22-24,26-27,31-35H,7-11,14-18,20-21H2,1-6H3,(H,48,55)(H,49,52)(H,50,54)/t22-,23+,24-,26-,27+,31-,32+,34+,35-,43-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.170n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403630
PNG
((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-N-[(1R,2R)-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@]1(C)CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C42H58F2N6O9S/c1-7-26-31-22-50(32(26)35(51)48-42(21-27(42)34(43)44)38(53)49-60(55,56)25-16-17-25)37(52)33(40(2,3)4)47-39(54)59-41(5)19-11-13-23(41)12-9-8-10-14-29-36(58-31)46-30-20-24(57-6)15-18-28(30)45-29/h15,18,20,23,25-27,31-34H,7-14,16-17,19,21-22H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t23-,26-,27+,31+,32+,33-,41-,42-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.180n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403593
PNG
(Preparation of (1aR,5S,8S,9S,10R,22aR)-5-tert-buty...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](CC)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C40H56N6O9S/c1-7-23-20-40(23,37(49)45-56(51,52)25-15-16-25)44-34(47)32-26(8-2)31-21-46(32)36(48)33(39(3,4)5)43-38(50)55-30-18-22(30)12-10-9-11-13-28-35(54-31)42-29-19-24(53-6)14-17-27(29)41-28/h14,17,19,22-23,25-26,30-33H,7-13,15-16,18,20-21H2,1-6H3,(H,43,50)(H,44,47)(H,45,49)/t22-,23-,26-,30-,31+,32+,33-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.180n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403603
PNG
((1R,4S,4aR,8S,11S,12S,13R,25aR)-8-tert-butyl-N-[(1...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C39H55ClN4O7/c1-10-12-13-14-26-22-15-16-23(19-22)31(26)50-37(47)43-32(38(3,4)5)35(45)44-21-29(25(11-2)30(44)36(46)51-39(6,7)8)49-34-33(40)41-27-18-17-24(48-9)20-28(27)42-34/h10,17-18,20,22-23,25-26,29-32H,1,11-16,19,21H2,2-9H3,(H,43,47)/t22-,23+,25+,26-,29-,30-,31-,32+/m0/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.180n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403622
PNG
((1aR,5S,8S,9S,10R,22aR)-9-benzyl-5-tert-butyl-N-[(...)
Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3Cc3ccccc3)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCCC=C)C(C)(C)C)nc2c1
Show InChI InChI=1S/C40H51ClN4O7/c1-9-10-12-17-25-21-30(25)51-38(48)44-33(39(2,3)4)36(46)45-23-31(50-35-34(41)42-28-19-18-26(49-8)22-29(28)43-35)27(20-24-15-13-11-14-16-24)32(45)37(47)52-40(5,6)7/h9,11,13-16,18-19,22,25,27,30-33H,1,10,12,17,20-21,23H2,2-8H3,(H,44,48)/t25-,27-,30-,31+,32+,33-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.180n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403631
PNG
((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-N-[(1R,2S)-...)
Show SMILES CC[C@@H]1[C@@H]2CN(C1C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@]1(C)CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C44H62F2N6O9S/c1-8-28-32-24-52(34(28)36(53)50-44(23-26(44)21-33(45)46)39(55)51-62(57,58)42(5)19-20-42)38(54)35(41(2,3)4)49-40(56)61-43(6)18-12-14-25(43)13-10-9-11-15-30-37(60-32)48-31-22-27(59-7)16-17-29(31)47-30/h16-17,22,25-26,28,32-35H,8-15,18-21,23-24H2,1-7H3,(H,49,56)(H,50,53)(H,51,55)/t25-,26-,28-,32+,34?,35-,43-,44-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.180n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403636
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C
Show InChI InChI=1S/C36H48F2N4O7/c1-11-13-14-21-17-25(21)48-33(45)41-29(34(4,5)6)31(43)42-19-26(20(3)27(42)32(44)49-35(7,8)9)47-30-28(36(37,38)12-2)39-23-16-15-22(46-10)18-24(23)40-30/h11-12,15-16,18,20-21,25-27,29H,1-2,13-14,17,19H2,3-10H3,(H,41,45)/t20-,21-,25-,26+,27+,29-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.190n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403627
PNG
((1R,4S,4aR,8S,11 S, 12S,13R,25aR)-8-tert-butyl-N-[...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1[C@H]3CC[C@H](C3)[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C44H60F2N6O9S/c1-7-26-32-22-52(33(26)37(53)50-44(21-28(44)36(45)46)40(55)51-62(57,58)43(5)17-18-43)39(54)35(42(2,3)4)49-41(56)61-34-24-14-13-23(19-24)27(34)11-9-8-10-12-30-38(60-32)48-31-20-25(59-6)15-16-29(31)47-30/h15-16,20,23-24,26-28,32-36H,7-14,17-19,21-22H2,1-6H3,(H,49,56)(H,50,53)(H,51,55)/t23-,24+,26-,27-,28+,32+,33+,34-,35-,44-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.190n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403596
PNG
(Preparation of (3aR,7S,10S,11S,12R,24aR)-7-tert-bu...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C42H58F2N6O9S/c1-7-25-31-22-50(32(25)35(51)48-42(21-26(42)34(43)44)38(53)49-60(55,56)41(5)18-19-41)37(52)33(40(2,3)4)47-39(54)59-30-15-11-13-23(30)12-9-8-10-14-28-36(58-31)46-29-20-24(57-6)16-17-27(29)45-28/h16-17,20,23,25-26,30-34H,7-15,18-19,21-22H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t23-,25-,26+,30-,31+,32+,33-,42-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403645
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OCC(F)(F)F)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C36H49F3N4O7/c1-8-22-27-18-43(28(22)32(45)50-35(5,6)7)31(44)29(34(2,3)4)42-33(46)49-26-16-20(26)12-10-9-11-13-24-30(48-27)41-25-17-21(14-15-23(25)40-24)47-19-36(37,38)39/h14-15,17,20,22,26-29H,8-13,16,18-19H2,1-7H3,(H,42,46)/t20-,22-,26-,27+,28+,29-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403629
PNG
((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-N-[(1R,2R)-...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC)C(=O)[C@@H](NC(=O)O[C@]1(C)CCC[C@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C35H49ClN4O7/c1-9-11-12-14-21-15-13-18-35(21,6)47-33(43)39-28(34(3,4)5)31(41)40-20-26(23(10-2)27(40)32(42)45-8)46-30-29(36)37-24-17-16-22(44-7)19-25(24)38-30/h9,16-17,19,21,23,26-28H,1,10-15,18,20H2,2-8H3,(H,39,43)/t21-,23-,26+,27+,28-,35-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403667
PNG
((1aR,5S,8S,9S,10R,19E,22aR)-5-tert-butyl-14-cyano-...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCC=C)C(C)(C)C)Oc1nc2cc(ccc2nc1C(F)(F)C=C)C#N
Show InChI InChI=1S/C37H47F2N5O6/c1-10-13-14-22-18-26(22)49-34(47)43-30(35(4,5)6)32(45)44-20-27(23(11-2)28(44)33(46)50-36(7,8)9)48-31-29(37(38,39)12-3)41-24-16-15-21(19-40)17-25(24)42-31/h10,12,15-17,22-23,26-28,30H,1,3,11,13-14,18,20H2,2,4-9H3,(H,43,47)/t22-,23-,26-,27+,28+,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.210n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403606
PNG
((1aR,5S,8S,9S,10R,22aR)-5-cyclohexyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCC=C)C1CCCCC1)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C37H51ClN4O7/c1-7-9-11-16-23-19-28(23)48-36(45)41-30(22-14-12-10-13-15-22)34(43)42-21-29(25(8-2)31(42)35(44)49-37(3,4)5)47-33-32(38)39-26-18-17-24(46-6)20-27(26)40-33/h7,17-18,20,22-23,25,28-31H,1,8-16,19,21H2,2-6H3,(H,41,45)/t23-,25-,28-,29+,30+,31+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.210n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403601
PNG
((7S,10S,11 S,12R)-7-tert-butyl-N-[(1R,2R)-1-[(cycl...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@]1(CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C42H55F5N6O9S/c1-6-25-30-21-53(31(25)34(54)51-40(20-26(40)33(43)44)37(56)52-63(58,59)24-15-16-24)36(55)32(39(2,3)4)50-38(57)62-41(42(45,46)47)18-10-12-22(41)11-8-7-9-13-28-35(61-30)49-29-19-23(60-5)14-17-27(29)48-28/h14,17,19,22,24-26,30-33H,6-13,15-16,18,20-21H2,1-5H3,(H,50,57)(H,51,54)(H,52,56)/t22-,25-,26+,30+,31+,32-,40-,41-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.230n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403625
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2S)-2-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C41H54F4N6O9S/c1-7-24-28-20-51(30(24)33(52)49-40(19-22(40)17-29(42)43)36(54)50-61(56,57)39(5)14-15-39)35(53)32(38(2,3)4)48-37(55)60-27-16-21(27)10-8-9-13-41(44,45)31-34(59-28)47-26-18-23(58-6)11-12-25(26)46-31/h11-12,18,21-22,24,27-30,32H,7-10,13-17,19-20H2,1-6H3,(H,48,55)(H,49,52)(H,50,54)/t21-,22-,24-,27-,28+,30+,32-,40-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.230n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403604
PNG
((1aR,5S,8S,9S,10R,22aR)-5-cyclopentyl-N-[(1R,2R)-2...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCC=C)C1CCCC1)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C36H49ClN4O7/c1-7-9-10-15-22-18-27(22)47-35(44)40-29(21-13-11-12-14-21)33(42)41-20-28(24(8-2)30(41)34(43)48-36(3,4)5)46-32-31(37)38-25-17-16-23(45-6)19-26(25)39-32/h7,16-17,19,21-22,24,27-30H,1,8-15,18,20H2,2-6H3,(H,40,44)/t22-,24-,27-,28+,29+,30+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.240n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403642
PNG
((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-11-ethyl-N-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1CCF)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@]1(C)CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C44H63FN6O9S/c1-8-29-33-25-51(34(29)36(52)49-44(24-27(44)18-22-45)39(54)50-61(56,57)42(5)20-21-42)38(53)35(41(2,3)4)48-40(55)60-43(6)19-12-14-26(43)13-10-9-11-15-31-37(59-33)47-32-23-28(58-7)16-17-30(32)46-31/h16-17,23,26-27,29,33-35H,8-15,18-22,24-25H2,1-7H3,(H,48,55)(H,49,52)(H,50,54)/t26-,27-,29-,33+,34+,35-,43-,44-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.25n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403601
PNG
((7S,10S,11 S,12R)-7-tert-butyl-N-[(1R,2R)-1-[(cycl...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@]1(CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C42H55F5N6O9S/c1-6-25-30-21-53(31(25)34(54)51-40(20-26(40)33(43)44)37(56)52-63(58,59)24-15-16-24)36(55)32(39(2,3)4)50-38(57)62-41(42(45,46)47)18-10-12-22(41)11-8-7-9-13-28-35(61-30)49-29-19-23(60-5)14-17-27(29)48-28/h14,17,19,22,24-26,30-33H,6-13,15-16,18,20-21H2,1-5H3,(H,50,57)(H,51,54)(H,52,56)/t22-,25-,26+,30+,31+,32-,40-,41-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.270n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403647
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4[C@H]5C[C@H]5C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C42H56F2N6O9S/c1-21-32-20-50(34(21)36(51)48-42(19-23(42)17-33(43)44)39(53)49-60(55,56)25-12-13-25)38(52)35(41(2,3)4)47-40(54)59-31-16-22-15-27(22)26(31)9-7-6-8-10-29-37(58-32)46-30-18-24(57-5)11-14-28(30)45-29/h11,14,18,21-23,25-27,31-35H,6-10,12-13,15-17,19-20H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/t21-,22+,23-,26-,27+,31-,32+,34+,35-,42-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.280n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403624
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-{(1R,2R)-1-...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](CC)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C40H54F2N6O9S/c1-7-22-19-39(22,36(51)47-58(53,54)24-13-14-24)46-33(49)30-25(8-2)29-20-48(30)35(50)32(38(3,4)5)45-37(52)57-28-17-21(28)11-9-10-16-40(41,42)31-34(56-29)44-27-18-23(55-6)12-15-26(27)43-31/h12,15,18,21-22,24-25,28-30,32H,7-11,13-14,16-17,19-20H2,1-6H3,(H,45,52)(H,46,49)(H,47,51)/t21-,22-,25-,28-,29+,30+,32-,39-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.280n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403677
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-14-chloro-N-[...)
Show SMILES C[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(Cl)ccc2nc1C(F)(F)C=C
Show InChI InChI=1S/C26H32ClF2N3O5/c1-9-26(28,29)20-21(31-17-12-15(27)10-11-16(17)30-20)35-18-13-32(23(34)37-25(6,7)8)19(14(18)2)22(33)36-24(3,4)5/h9-12,14,18-19H,1,13H2,2-8H3/t14-,18+,19+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.290n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403605
PNG
((1aR,5S,8S,9S,10R,22aR)-5-cyclopentyl-N-[(1R,2R)-1...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C1CCCC1
Show InChI InChI=1S/C40H52F2N6O9S/c1-3-25-31-20-48(33(25)35(49)46-40(19-26(40)34(41)42)38(51)47-58(53,54)24-14-15-24)37(50)32(21-9-7-8-10-21)45-39(52)57-30-17-22(30)11-5-4-6-12-28-36(56-31)44-29-18-23(55-2)13-16-27(29)43-28/h13,16,18,21-22,24-26,30-34H,3-12,14-15,17,19-20H2,1-2H3,(H,45,52)(H,46,49)(H,47,51)/t22-,25-,26+,30-,31+,32+,33+,40-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.300n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403641
PNG
((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-N-{(1R,2R)-...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](CC)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@]1(C)CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C43H62N6O9S/c1-8-25-23-43(25,39(52)48-59(54,55)28-18-19-28)47-36(50)34-29(9-2)33-24-49(34)38(51)35(41(3,4)5)46-40(53)58-42(6)21-13-15-26(42)14-11-10-12-16-31-37(57-33)45-32-22-27(56-7)17-20-30(32)44-31/h17,20,22,25-26,28-29,33-35H,8-16,18-19,21,23-24H2,1-7H3,(H,46,53)(H,47,50)(H,48,52)/t25-,26-,29-,33+,34+,35-,42-,43-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.310n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403657
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2S)-2-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C41H56F2N6O9S/c1-7-25-30-21-49(32(25)34(50)47-41(20-23(41)18-31(42)43)37(52)48-59(54,55)40(5)15-16-40)36(51)33(39(2,3)4)46-38(53)58-29-17-22(29)11-9-8-10-12-27-35(57-30)45-28-19-24(56-6)13-14-26(28)44-27/h13-14,19,22-23,25,29-33H,7-12,15-18,20-21H2,1-6H3,(H,46,53)(H,47,50)(H,48,52)/t22-,23-,25-,29-,30+,32+,33-,41-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.320n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403646
PNG
((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-11-ethyl-N-...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](CC)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@]1(C)CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C44H64N6O9S/c1-9-26-24-44(26,39(53)49-60(55,56)42(6)21-22-42)48-36(51)34-29(10-2)33-25-50(34)38(52)35(41(3,4)5)47-40(54)59-43(7)20-14-16-27(43)15-12-11-13-17-31-37(58-33)46-32-23-28(57-8)18-19-30(32)45-31/h18-19,23,26-27,29,33-35H,9-17,20-22,24-25H2,1-8H3,(H,47,54)(H,48,51)(H,49,53)/t26-,27-,29-,33+,34+,35-,43-,44-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.380n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403615
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2S)-2-...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C
Show InChI InChI=1S/C40H54F2N6O9S/c1-21-29-20-48(31(21)33(49)46-40(19-23(40)17-30(41)42)36(51)47-58(53,54)39(5)14-15-39)35(50)32(38(2,3)4)45-37(52)57-28-16-22(28)10-8-7-9-11-26-34(56-29)44-27-18-24(55-6)12-13-25(27)43-26/h12-13,18,21-23,28-32H,7-11,14-17,19-20H2,1-6H3,(H,45,52)(H,46,49)(H,47,51)/t21-,22-,23-,28-,29+,31+,32-,40-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.390n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403598
PNG
(Preparation of (1aS,5S,8S,9S,10R,22aS)-5-tert-buty...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@]1(C)C[C@@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C41H56F2N6O9S/c1-8-24-29-21-49(30(24)33(50)47-41(20-25(41)32(42)43)36(52)48-59(54,55)39(5)16-17-39)35(51)31(38(2,3)4)46-37(53)58-40(6)19-22(40)12-10-9-11-13-27-34(57-29)45-28-18-23(56-7)14-15-26(28)44-27/h14-15,18,22,24-25,29-32H,8-13,16-17,19-21H2,1-7H3,(H,46,53)(H,47,50)(H,48,52)/t22-,24+,25-,29-,30-,31+,40-,41+/m0/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.420n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403611
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](C)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C40H56N6O9S/c1-8-24-20-40(24,36(49)45-56(51,52)39(6)16-17-39)44-33(47)31-22(2)30-21-46(31)35(48)32(38(3,4)5)43-37(50)55-29-18-23(29)12-10-9-11-13-27-34(54-30)42-28-19-25(53-7)14-15-26(28)41-27/h14-15,19,22-24,29-32H,8-13,16-18,20-21H2,1-7H3,(H,43,50)(H,44,47)(H,45,49)/t22-,23-,24-,29-,30+,31+,32-,40-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.450n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403672
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(OC(F)(F)F)ccc2nc1C(F)(F)C=C
Show InChI InChI=1S/C28H34F5N3O6/c1-9-16-19(14-36(24(38)42-26(6,7)8)20(16)23(37)41-25(3,4)5)39-22-21(27(29,30)10-2)34-17-12-11-15(13-18(17)35-22)40-28(31,32)33/h10-13,16,19-20H,2,9,14H2,1,3-8H3/t16-,19+,20+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.480n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403635
PNG
((1aS,5S,8S,9S,10R,22aS)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc3CCCCC[C@H]4C[C@]4(C)OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C
Show InChI InChI=1S/C40H54F2N6O9S/c1-21-28-20-48(29(21)32(49)46-40(19-24(40)31(41)42)35(51)47-58(53,54)38(5)15-16-38)34(50)30(37(2,3)4)45-36(52)57-39(6)18-22(39)11-9-8-10-12-26-33(56-28)44-27-17-23(55-7)13-14-25(27)43-26/h13-14,17,21-22,24,28-31H,8-12,15-16,18-20H2,1-7H3,(H,45,52)(H,46,49)(H,47,51)/t21-,22+,24+,28+,29+,30-,39+,40-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.480n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403669
PNG
((3aR,7S,10S,11S,12R)-1-acetyl-7-tert-butyl-N-[(1R,...)
Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3CCN([C@H]3CCCC=C)C(C)=O)C(C)(C)C)nc2c1
Show InChI InChI=1S/C37H52ClN5O8/c1-11-12-13-14-26-27(17-18-42(26)22(3)44)50-35(47)41-30(36(4,5)6)33(45)43-20-28(21(2)29(43)34(46)51-37(7,8)9)49-32-31(38)39-24-16-15-23(48-10)19-25(24)40-32/h11,15-16,19,21,26-30H,1,12-14,17-18,20H2,2-10H3,(H,41,47)/t21-,26+,27-,28+,29+,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.490n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403644
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-{(1R,2R)-1-...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](CC)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccccc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C39H52F2N6O8S/c1-6-22-19-38(22,35(50)46-56(52,53)23-15-16-23)45-32(48)29-24(7-2)28-20-47(29)34(49)31(37(3,4)5)44-36(51)55-27-18-21(27)12-10-11-17-39(40,41)30-33(54-28)43-26-14-9-8-13-25(26)42-30/h8-9,13-14,21-24,27-29,31H,6-7,10-12,15-20H2,1-5H3,(H,44,51)(H,45,48)(H,46,50)/t21-,22-,24-,27-,28+,29+,31-,38-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.5n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403599
PNG
((7S,10S,11S,12R)-7-tert-butyl-N-[(1R,2R)-2-(difluo...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC1(CCC[C@H]1CCCC=C)C(F)(F)F)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C38H52ClF3N4O7/c1-10-12-13-15-22-16-14-19-37(22,38(40,41)42)53-34(49)45-29(35(3,4)5)32(47)46-21-27(24(11-2)28(46)33(48)52-36(6,7)8)51-31-30(39)43-25-18-17-23(50-9)20-26(25)44-31/h10,17-18,20,22,24,27-29H,1,11-16,19,21H2,2-9H3,(H,45,49)/t22-,24-,27+,28+,29-,37?/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.520n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403610
PNG
((1aR,5S,8S,9S,9S,10R,22aR)-5-tert-butyl-N-{(1R,2R)...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](C)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C39H54N6O9S/c1-7-23-19-39(23,36(48)44-55(50,51)25-14-15-25)43-33(46)31-21(2)30-20-45(31)35(47)32(38(3,4)5)42-37(49)54-29-17-22(29)11-9-8-10-12-27-34(53-30)41-28-18-24(52-6)13-16-26(28)40-27/h13,16,18,21-23,25,29-32H,7-12,14-15,17,19-20H2,1-6H3,(H,42,49)(H,43,46)(H,44,48)/t21-,22-,23-,29-,30+,31+,32-,39-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.530n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403593
PNG
(Preparation of (1aR,5S,8S,9S,10R,22aR)-5-tert-buty...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](CC)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C40H56N6O9S/c1-7-23-20-40(23,37(49)45-56(51,52)25-15-16-25)44-34(47)32-26(8-2)31-21-46(32)36(48)33(39(3,4)5)43-38(50)55-30-18-22(30)12-10-9-11-13-28-35(54-31)42-29-19-24(53-6)14-17-27(29)41-28/h14,17,19,22-23,25-26,30-33H,7-13,15-16,18,20-21H2,1-6H3,(H,43,50)(H,44,47)(H,45,49)/t22-,23-,26-,30-,31+,32+,33-,40-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.560n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403594
PNG
(Preparation of (1aR,5S,8S,9S,10R,22aR)-5-tert-buty...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](CC)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C41H58N6O9S/c1-8-24-21-41(24,37(50)46-57(52,53)40(6)17-18-40)45-34(48)32-26(9-2)31-22-47(32)36(49)33(39(3,4)5)44-38(51)56-30-19-23(30)13-11-10-12-14-28-35(55-31)43-29-20-25(54-7)15-16-27(29)42-28/h15-16,20,23-24,26,30-33H,8-14,17-19,21-22H2,1-7H3,(H,44,51)(H,45,48)(H,46,50)/t23-,24-,26-,30-,31+,32+,33-,41-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.560n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403599
PNG
((7S,10S,11S,12R)-7-tert-butyl-N-[(1R,2R)-2-(difluo...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC1(CCC[C@H]1CCCC=C)C(F)(F)F)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C38H52ClF3N4O7/c1-10-12-13-15-22-16-14-19-37(22,38(40,41)42)53-34(49)45-29(35(3,4)5)32(47)46-21-27(24(11-2)28(46)33(48)52-36(6,7)8)51-31-30(39)43-25-18-17-23(50-9)20-26(25)44-31/h10,17-18,20,22,24,27-29H,1,11-16,19,21H2,2-9H3,(H,45,49)/t22-,24-,27+,28+,29-,37?/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.590n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403596
PNG
(Preparation of (3aR,7S,10S,11S,12R,24aR)-7-tert-bu...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C42H58F2N6O9S/c1-7-25-31-22-50(32(25)35(51)48-42(21-26(42)34(43)44)38(53)49-60(55,56)41(5)18-19-41)37(52)33(40(2,3)4)47-39(54)59-30-15-11-13-23(30)12-9-8-10-14-28-36(58-31)46-29-20-24(57-6)16-17-27(29)45-28/h16-17,20,23,25-26,30-34H,7-15,18-19,21-22H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t23-,25-,26+,30-,31+,32+,33-,42-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.620n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403620
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3CC(C)C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCCC=C)C(C)(C)C)nc2c1
Show InChI InChI=1S/C37H53ClN4O7/c1-11-12-13-14-22-18-27(22)48-35(45)41-30(36(4,5)6)33(43)42-20-28(24(17-21(2)3)29(42)34(44)49-37(7,8)9)47-32-31(38)39-25-16-15-23(46-10)19-26(25)40-32/h11,15-16,19,21-22,24,27-30H,1,12-14,17-18,20H2,2-10H3,(H,41,45)/t22-,24-,27-,28+,29+,30-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.630n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403658
PNG
((4aR,8S,11 S,12S,13R,25aS)-8-tert-butyl-N-[(1R,2R)...)
Show SMILES COc1ccc2nc3c(O[C@H]4CN([C@@H]([C@@H]4C)C(=O)N[C@@]4(C[C@H]4C(F)F)C(=O)NS(=O)(=O)C4CC4)C(=O)[C@@H](NC(=O)O[C@@H]4CCC=C[C@H]4CCCCC3(F)F)C(C)(C)C)nc2c1
Show InChI InChI=1S/C41H52F4N6O9S/c1-21-29-20-51(30(21)34(52)49-40(19-25(40)33(42)43)37(54)50-61(56,57)24-14-15-24)36(53)32(39(2,3)4)48-38(55)60-28-12-7-6-10-22(28)11-8-9-17-41(44,45)31-35(59-29)47-27-18-23(58-5)13-16-26(27)46-31/h6,10,13,16,18,21-22,24-25,28-30,32-33H,7-9,11-12,14-15,17,19-20H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/t21-,22+,25+,28-,29+,30+,32-,40-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.630n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403628
PNG
((1aR,5S,8S,9S,10R,22aR)—N-[(1R,2R)-2-(difluor...)
Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCCC=C)C3(C)CCCC3)nc2c1
Show InChI InChI=1S/C36H49ClN4O7/c1-8-9-10-13-22-18-26(22)47-34(44)40-29(36(6)16-11-12-17-36)32(42)41-20-27(21(2)28(41)33(43)48-35(3,4)5)46-31-30(37)38-24-15-14-23(45-7)19-25(24)39-31/h8,14-15,19,21-22,26-29H,1,9-13,16-18,20H2,2-7H3,(H,40,44)/t21-,22-,26-,27+,28+,29-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.700n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403632
PNG
((1aS,5S,8S,9S,10R,22aS)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@]1(C[C@@H]1CCCC=C)OC(=O)N[C@H](C(=O)N1C[C@H](Oc2nc3cc(OC)ccc3nc2Cl)[C@@H](C)[C@H]1C(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C36H51ClN4O7/c1-11-13-14-15-22-19-36(22,12-2)48-33(44)40-28(34(4,5)6)31(42)41-20-26(21(3)27(41)32(43)47-35(7,8)9)46-30-29(37)38-24-17-16-23(45-10)18-25(24)39-30/h11,16-18,21-22,26-28H,1,12-15,19-20H2,2-10H3,(H,40,44)/t21-,22+,26+,27+,28-,36+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.75n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403631
PNG
((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-N-[(1R,2S)-...)
Show SMILES CC[C@@H]1[C@@H]2CN(C1C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@]1(C)CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C44H62F2N6O9S/c1-8-28-32-24-52(34(28)36(53)50-44(23-26(44)21-33(45)46)39(55)51-62(57,58)42(5)19-20-42)38(54)35(41(2,3)4)49-40(56)61-43(6)18-12-14-25(43)13-10-9-11-15-30-37(60-32)48-31-22-27(59-7)16-17-29(31)47-30/h16-17,22,25-26,28,32-35H,8-15,18-21,23-24H2,1-7H3,(H,49,56)(H,50,53)(H,51,55)/t25-,26-,28-,32+,34?,35-,43-,44-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.790n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403663
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-9-ethyl-14-me...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C40H56N6O9S/c1-8-25-30-21-46(31(25)33(47)44-40(20-22(40)2)36(49)45-56(51,52)39(6)16-17-39)35(48)32(38(3,4)5)43-37(50)55-29-18-23(29)12-10-9-11-13-27-34(54-30)42-28-19-24(53-7)14-15-26(28)41-27/h14-15,19,22-23,25,29-32H,8-13,16-18,20-21H2,1-7H3,(H,43,50)(H,44,47)(H,45,49)/t22-,23-,25-,29-,30+,31+,32-,40-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.820n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403667
PNG
((1aR,5S,8S,9S,10R,19E,22aR)-5-tert-butyl-14-cyano-...)
Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCC=C)C(C)(C)C)Oc1nc2cc(ccc2nc1C(F)(F)C=C)C#N
Show InChI InChI=1S/C37H47F2N5O6/c1-10-13-14-22-18-26(22)49-34(47)43-30(35(4,5)6)32(45)44-20-27(23(11-2)28(44)33(46)50-36(7,8)9)48-31-29(37(38,39)12-3)41-24-16-15-21(19-40)17-25(24)42-31/h10,12,15-17,22-23,26-28,30H,1,3,11,13-14,18,20H2,2,4-9H3,(H,43,47)/t22-,23-,26-,27+,28+,30-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.820n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403641
PNG
((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-N-{(1R,2R)-...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](CC)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@]1(C)CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C43H62N6O9S/c1-8-25-23-43(25,39(52)48-59(54,55)28-18-19-28)47-36(50)34-29(9-2)33-24-49(34)38(51)35(41(3,4)5)46-40(53)58-42(6)21-13-15-26(42)14-11-10-12-16-31-37(57-33)45-32-22-27(56-7)17-20-30(32)44-31/h17,20,22,25-26,28-29,33-35H,8-16,18-19,21,23-24H2,1-7H3,(H,46,53)(H,47,50)(H,48,52)/t25-,26-,29-,33+,34+,35-,42-,43-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.840n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403622
PNG
((1aR,5S,8S,9S,10R,22aR)-9-benzyl-5-tert-butyl-N-[(...)
Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3Cc3ccccc3)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCCC=C)C(C)(C)C)nc2c1
Show InChI InChI=1S/C40H51ClN4O7/c1-9-10-12-17-25-21-30(25)51-38(48)44-33(39(2,3)4)36(46)45-23-31(50-35-34(41)42-28-19-18-26(49-8)22-29(28)43-35)27(20-24-15-13-11-14-16-24)32(45)37(47)52-40(5,6)7/h9,11,13-16,18-19,22,25,27,30-33H,1,10,12,17,20-21,23H2,2-8H3,(H,44,48)/t25-,27-,30-,31+,32+,33-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.870n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403601
PNG
((7S,10S,11 S,12R)-7-tert-butyl-N-[(1R,2R)-1-[(cycl...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@]1(CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C42H55F5N6O9S/c1-6-25-30-21-53(31(25)34(54)51-40(20-26(40)33(43)44)37(56)52-63(58,59)24-15-16-24)36(55)32(39(2,3)4)50-38(57)62-41(42(45,46)47)18-10-12-22(41)11-8-7-9-13-28-35(61-30)49-29-19-23(60-5)14-17-27(29)48-28/h14,17,19,22,24-26,30-33H,6-13,15-16,18,20-21H2,1-5H3,(H,50,57)(H,51,54)(H,52,56)/t22-,25-,26+,30+,31+,32-,40-,41-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.880n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403614
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2S)-1-...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C39H52F2N6O9S/c1-20-29-19-47(31(20)33(48)45-39(18-22(39)16-30(40)41)36(50)46-57(52,53)24-12-13-24)35(49)32(38(2,3)4)44-37(51)56-28-15-21(28)9-7-6-8-10-26-34(55-29)43-27-17-23(54-5)11-14-25(27)42-26/h11,14,17,20-22,24,28-32H,6-10,12-13,15-16,18-19H2,1-5H3,(H,44,51)(H,45,48)(H,46,50)/t20-,21-,22-,28-,29+,31+,32-,39-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.920n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403646
PNG
((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-11-ethyl-N-...)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@H](CC)[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@]1(C)CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C44H64N6O9S/c1-9-26-24-44(26,39(53)49-60(55,56)42(6)21-22-42)48-36(51)34-29(10-2)33-25-50(34)38(52)35(41(3,4)5)47-40(54)59-43(7)20-14-16-27(43)15-12-11-13-17-31-37(58-33)46-32-23-28(57-8)18-19-30(32)45-31/h18-19,23,26-27,29,33-35H,9-17,20-22,24-25H2,1-8H3,(H,47,54)(H,48,51)(H,49,53)/t26-,27-,29-,33+,34+,35-,43-,44-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403613
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2S)-2-...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1CCF)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C
Show InChI InChI=1S/C40H55FN6O9S/c1-22-30-21-47(31(22)33(48)45-40(20-24(40)14-17-41)36(50)46-57(52,53)39(5)15-16-39)35(49)32(38(2,3)4)44-37(51)56-29-18-23(29)10-8-7-9-11-27-34(55-30)43-28-19-25(54-6)12-13-26(28)42-27/h12-13,19,22-24,29-32H,7-11,14-18,20-21H2,1-6H3,(H,44,51)(H,45,48)(H,46,50)/t22-,23-,24-,29-,30+,31+,32-,40-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.10n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403654
PNG
((1aS,5S,8S,9S,10R,22aS)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@]1(C)C[C@@H]1CCCCC(F)(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C41H54F4N6O9S/c1-8-23-27-20-51(28(23)32(52)49-40(19-24(40)31(42)43)35(54)50-61(56,57)38(5)15-16-38)34(53)30(37(2,3)4)48-36(55)60-39(6)18-21(39)11-9-10-14-41(44,45)29-33(59-27)47-26-17-22(58-7)12-13-25(26)46-29/h12-13,17,21,23-24,27-28,30-31H,8-11,14-16,18-20H2,1-7H3,(H,48,55)(H,49,52)(H,50,54)/t21-,23+,24-,27-,28-,30+,39-,40+/m0/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.20n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403601
PNG
((7S,10S,11 S,12R)-7-tert-butyl-N-[(1R,2R)-1-[(cycl...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@]1(CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C42H55F5N6O9S/c1-6-25-30-21-53(31(25)34(54)51-40(20-26(40)33(43)44)37(56)52-63(58,59)24-15-16-24)36(55)32(39(2,3)4)50-38(57)62-41(42(45,46)47)18-10-12-22(41)11-8-7-9-13-28-35(61-30)49-29-19-23(60-5)14-17-27(29)48-28/h14,17,19,22,24-26,30-33H,6-13,15-16,18,20-21H2,1-5H3,(H,50,57)(H,51,54)(H,52,56)/t22-,25-,26+,30+,31+,32-,40-,41-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.20n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403642
PNG
((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-11-ethyl-N-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1CCF)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@]1(C)CCC[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C44H63FN6O9S/c1-8-29-33-25-51(34(29)36(52)49-44(24-27(44)18-22-45)39(54)50-61(56,57)42(5)20-21-42)38(53)35(41(2,3)4)48-40(55)60-43(6)19-12-14-26(43)13-10-9-11-15-31-37(59-33)47-32-23-28(58-7)16-17-30(32)46-31/h16-17,23,26-27,29,33-35H,8-15,18-22,24-25H2,1-7H3,(H,48,55)(H,49,52)(H,50,54)/t26-,27-,29-,33+,34+,35-,43-,44-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.30n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403612
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,25)-1-...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1CCF)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C39H53FN6O9S/c1-21-30-20-46(31(21)33(47)44-39(19-23(39)15-16-40)36(49)45-56(51,52)25-12-13-25)35(48)32(38(2,3)4)43-37(50)55-29-17-22(29)9-7-6-8-10-27-34(54-30)42-28-18-24(53-5)11-14-26(28)41-27/h11,14,18,21-23,25,29-32H,6-10,12-13,15-17,19-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/t21-,22-,23-,29-,30+,31+,32-,39-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.30n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403626
PNG
((1aR,5S,8S,9S,10R,21aR)-5-tert-butyl-N-[(1R,2R)-2-...)
Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCC1CC1c1nc3ccc(OC)cc3nc1O2)C(C)(C)C
Show InChI InChI=1S/C36H50N4O7/c1-9-22-27-18-40(29(22)33(42)47-36(5,6)7)32(41)30(35(2,3)4)39-34(43)46-26-16-20(26)12-10-11-19-15-23(19)28-31(45-27)38-25-17-21(44-8)13-14-24(25)37-28/h13-14,17,19-20,22-23,26-27,29-30H,9-12,15-16,18H2,1-8H3,(H,39,43)/t19?,20-,22-,23?,26-,27+,29+,30-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.70n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403662
PNG
((4aS,8S,11S,12S,13R,25aS)-8-tert-butyl-N-[(1R,2R)-...)
Show SMILES COc1ccc2nc3CCCCC[C@H]4C5CC(C5)C[C@@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C
Show InChI InChI=1S/C42H56F2N6O9S/c1-21-32-20-50(33(21)36(51)48-42(19-27(42)35(43)44)39(53)49-60(55,56)25-12-13-25)38(52)34(41(2,3)4)47-40(54)59-31-17-22-15-23(16-22)26(31)9-7-6-8-10-29-37(58-32)46-30-18-24(57-5)11-14-28(30)45-29/h11,14,18,21-23,25-27,31-35H,6-10,12-13,15-17,19-20H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/t21-,22?,23?,26+,27+,31+,32+,33+,34-,42-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
4.10n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403621
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-9-cyclopropyl...)
Show SMILES COC(=O)[C@@H]1[C@H](C2CC2)[C@H](CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl
Show InChI InChI=1S/C33H43ClN4O7/c1-7-8-9-10-19-15-23(19)45-32(41)37-27(33(2,3)4)30(39)38-17-24(25(18-11-12-18)26(38)31(40)43-6)44-29-28(34)35-21-14-13-20(42-5)16-22(21)36-29/h7,13-14,16,18-19,23-27H,1,8-12,15,17H2,2-6H3,(H,37,41)/t19-,23-,24+,25-,26+,27-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
4.90n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403669
PNG
((3aR,7S,10S,11S,12R)-1-acetyl-7-tert-butyl-N-[(1R,...)
Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3CCN([C@H]3CCCC=C)C(C)=O)C(C)(C)C)nc2c1
Show InChI InChI=1S/C37H52ClN5O8/c1-11-12-13-14-26-27(17-18-42(26)22(3)44)50-35(47)41-30(36(4,5)6)33(45)43-20-28(21(2)29(43)34(46)51-37(7,8)9)49-32-31(38)39-24-16-15-23(48-10)19-25(24)40-32/h11,15-16,19,21,26-30H,1,12-14,17-18,20H2,2-10H3,(H,41,47)/t21-,26+,27-,28+,29+,30-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
13n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM403640
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-9-(cyanomethy...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](CC#N)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C
Show InChI InChI=1S/C40H51F2N7O9S/c1-38(2,3)31-35(51)49-20-29(23(13-16-43)30(49)33(50)47-40(19-24(40)32(41)42)36(52)48-59(54,55)39(4)14-15-39)57-34-26(44-25-12-11-22(56-5)18-27(25)45-34)10-8-6-7-9-21-17-28(21)58-37(53)46-31/h11-12,18,21,23-24,28-32H,6-10,13-15,17,19-20H2,1-5H3,(H,46,53)(H,47,50)(H,48,52)/t21-,23-,24+,28-,29+,30+,31-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
63n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403640
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-9-(cyanomethy...)
Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](CC#N)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C
Show InChI InChI=1S/C40H51F2N7O9S/c1-38(2,3)31-35(51)49-20-29(23(13-16-43)30(49)33(50)47-40(19-24(40)32(41)42)36(52)48-59(54,55)39(4)14-15-39)57-34-26(44-25-12-11-22(56-5)18-27(25)45-34)10-8-6-7-9-21-17-28(21)58-37(53)46-31/h11-12,18,21,23-24,28-32H,6-10,13-15,17,19-20H2,1-5H3,(H,46,53)(H,47,50)(H,48,52)/t21-,23-,24+,28-,29+,30+,31-,40-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
100n/an/an/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


US Patent US10335409 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%