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Patent code US10125137

Compile Data Set for Download or QSAR
Found 10 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
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM299172
PNG
(US10125137, Compound 1010)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CC2CCN(CC2C1)C(=O)OC(C)(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C38H42F2N4O7S/c1-38(2,3)51-37(47)42-15-13-26-20-43(22-27(26)21-42)36(46)25-8-6-7-24(17-25)29-18-30-32(19-31(29)44(16-14-39)52(5,48)49)50-34(33(30)35(45)41-4)23-9-11-28(40)12-10-23/h6-12,17-19,26-27H,13-16,20-22H2,1-5H3,(H,41,45)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV NS5B RdRp Enzyme Assay. An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Rober...


US Patent US10125137 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM299166
PNG
(US10125137, Compound 1004)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCc2[nH]ncc2C1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H29F2N5O5S/c1-35-31(40)29-25-15-24(20-4-3-5-21(14-20)32(41)38-12-10-26-22(18-38)17-36-37-26)27(39(13-11-33)45(2,42)43)16-28(25)44-30(29)19-6-8-23(34)9-7-19/h3-9,14-17H,10-13,18H2,1-2H3,(H,35,40)(H,36,37)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 975n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV NS5B RdRp Enzyme Assay. An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Rober...


US Patent US10125137 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM299165
PNG
(US10125137, Compound 1003)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCc2nc[nH]c2C1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H29F2N5O5S/c1-35-31(40)29-24-15-23(20-4-3-5-21(14-20)32(41)38-12-10-25-26(17-38)37-18-36-25)27(39(13-11-33)45(2,42)43)16-28(24)44-30(29)19-6-8-22(34)9-7-19/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,35,40)(H,36,37)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV NS5B RdRp Enzyme Assay. An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Rober...


US Patent US10125137 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM299167
PNG
(US10125137, Compound 1005)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCn2cccc2C1c1cccnc1)-c1ccc(F)cc1
Show InChI InChI=1S/C38H33F2N5O5S/c1-41-37(46)34-30-21-29(32(45(17-14-39)51(2,48)49)22-33(30)50-36(34)24-10-12-28(40)13-11-24)25-6-3-7-26(20-25)38(47)44-19-18-43-16-5-9-31(43)35(44)27-8-4-15-42-23-27/h3-13,15-16,20-23,35H,14,17-19H2,1-2H3,(H,41,46)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV NS5B RdRp Enzyme Assay. An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Rober...


US Patent US10125137 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM299164
PNG
(US10125137, Compound 1002)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCn2c(C1)nnc2C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C32H27F5N6O5S/c1-38-29(44)27-23-15-22(24(43(11-10-33)49(2,46)47)16-25(23)48-28(27)18-6-8-21(34)9-7-18)19-4-3-5-20(14-19)30(45)41-12-13-42-26(17-41)39-40-31(42)32(35,36)37/h3-9,14-16H,10-13,17H2,1-2H3,(H,38,44)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 550n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV NS5B RdRp Enzyme Assay. An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Rober...


US Patent US10125137 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM299163
PNG
(US10125137, Compound 1001)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCn2cc(nc2C1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C33H28F5N5O5S/c1-39-31(44)29-24-15-23(25(43(11-10-34)49(2,46)47)16-26(24)48-30(29)19-6-8-22(35)9-7-19)20-4-3-5-21(14-20)32(45)42-13-12-41-17-27(33(36,37)38)40-28(41)18-42/h3-9,14-17H,10-13,18H2,1-2H3,(H,39,44)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 34.9n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV NS5B RdRp Enzyme Assay. An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Rober...


US Patent US10125137 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM299170
PNG
(US10125137, Compound 1008)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCC2(CCN(C2)C(=O)OC(C)(C)C)C1)-c1ccc(F)cc1
Show InChI InChI=1S/C38H42F2N4O7S/c1-37(2,3)51-36(47)43-17-14-38(23-43)13-16-42(22-38)35(46)26-8-6-7-25(19-26)28-20-29-31(21-30(28)44(18-15-39)52(5,48)49)50-33(32(29)34(45)41-4)24-9-11-27(40)12-10-24/h6-12,19-21H,13-18,22-23H2,1-5H3,(H,41,45)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 96.4n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV NS5B RdRp Enzyme Assay. An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Rober...


US Patent US10125137 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM299169
PNG
(US10125137, Compound 1007)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C32H30F2N4O6S/c1-36-31(40)28-23-15-22(18-4-3-5-19(12-18)32(41)38-24-13-20(24)14-26(38)30(35)39)25(37(11-10-33)45(2,42)43)16-27(23)44-29(28)17-6-8-21(34)9-7-17/h3-9,12,15-16,20,24,26H,10-11,13-14H2,1-2H3,(H2,35,39)(H,36,40)/t20-,24-,26-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV NS5B RdRp Enzyme Assay. An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Rober...


US Patent US10125137 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM299171
PNG
(US10125137, Compound 1009)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CC2CCN(C2C1)C(=O)OC(C)(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C37H40F2N4O7S/c1-37(2,3)50-36(46)42-15-13-25-20-41(21-30(25)42)35(45)24-8-6-7-23(17-24)27-18-28-31(19-29(27)43(16-14-38)51(5,47)48)49-33(32(28)34(44)40-4)22-9-11-26(39)12-10-22/h6-12,17-19,25,30H,13-16,20-21H2,1-5H3,(H,40,44)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 550n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV NS5B RdRp Enzyme Assay. An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Rober...


US Patent US10125137 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM299168
PNG
(US10125137, Compound 1006)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCC2CC12)-c1ccc(F)cc1
Show InChI InChI=1S/C31H29F2N3O5S/c1-34-30(37)28-24-16-23(19-4-3-5-21(14-19)31(38)35-12-10-20-15-25(20)35)26(36(13-11-32)42(2,39)40)17-27(24)41-29(28)18-6-8-22(33)9-7-18/h3-9,14,16-17,20,25H,10-13,15H2,1-2H3,(H,34,37)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV NS5B RdRp Enzyme Assay. An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Rober...


US Patent US10125137 (2018)

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