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Patent code US10214534

Compile Data Set for Download or QSAR
Found 44 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))
BDBM357804
PNG
(US10214534, Compound 1008)
Show SMILES CCN(CC)c1cc2oc(c(C(=O)NC)c2cc1-c1ccc(O)c(c1)C(N)=O)-c1ccc(Oc2cccc(F)c2)cc1
Show InChI InChI=1S/C33H30FN3O5/c1-4-37(5-2)27-18-29-26(17-24(27)20-11-14-28(38)25(15-20)32(35)39)30(33(40)36-3)31(42-29)19-9-12-22(13-10-19)41-23-8-6-7-21(34)16-23/h6-18,38H,4-5H2,1-3H3,(H2,35,39)(H,36,40)
PDB

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US Patent
n/an/an/an/a 13n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357824
PNG
(US10214534, Compound 2006)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C35H31F4N3O4/c1-34(2,3)42-31(43)22-9-7-8-21(18-22)24-19-25-29(32(44)40-4)30(46-33(25)41-27(24)16-17-35(37,38)39)20-12-14-23(15-13-20)45-28-11-6-5-10-26(28)36/h5-15,18-19H,16-17H2,1-4H3,(H,40,44)(H,42,43)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357816
PNG
(US10214534, Compound 1022)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccc(F)cc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C37H38FN3O7S/c1-8-41(49(7,44)45)30-21-32-28(20-27(30)23-11-18-31(46-6)29(19-23)35(42)40-37(2,3)4)33(36(43)39-5)34(48-32)22-9-14-25(15-10-22)47-26-16-12-24(38)13-17-26/h9-21H,8H2,1-7H3,(H,39,43)(H,40,42)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357818
PNG
(US10214534, Compound 1026)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)NCC(F)(F)F)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H27F4N3O6S/c1-38-32(42)29-26-16-25(20-5-4-6-21(15-20)31(41)39-18-33(35,36)37)27(40(2)47(3,43)44)17-28(26)46-30(29)19-7-11-23(12-8-19)45-24-13-9-22(34)10-14-24/h4-17H,18H2,1-3H3,(H,38,42)(H,39,41)
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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357821
PNG
(US10214534, Compound 2003)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C36H34F3N3O5/c1-35(2,3)42-32(43)23-8-6-7-22(19-23)27-20-28-30(33(44)40-4)31(47-34(28)41-29(27)17-18-36(37,38)39)21-9-11-25(12-10-21)46-26-15-13-24(45-5)14-16-26/h6-16,19-20H,17-18H2,1-5H3,(H,40,44)(H,42,43)
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n/an/an/an/a 550n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357826
PNG
(US10214534, Compound 2008)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccccc2C)cc1
Show InChI InChI=1S/C36H34F3N3O4/c1-21-9-6-7-12-29(21)45-25-15-13-22(14-16-25)31-30(33(44)40-5)27-20-26(28(41-34(27)46-31)17-18-36(37,38)39)23-10-8-11-24(19-23)32(43)42-35(2,3)4/h6-16,19-20H,17-18H2,1-5H3,(H,40,44)(H,42,43)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357811
PNG
(US10214534, Compound 1017)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)N[C@@H](C)C(F)(F)F)-c1ccc(Oc2cccc(F)c2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C35H31F4N3O6S/c1-5-42(49(4,45)46)29-19-30-28(18-27(29)22-8-6-9-23(16-22)33(43)41-20(2)35(37,38)39)31(34(44)40-3)32(48-30)21-12-14-25(15-13-21)47-26-11-7-10-24(36)17-26/h6-20H,5H2,1-4H3,(H,40,44)(H,41,43)/t20-/m0/s1
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n/an/an/an/a 6.20n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357831
PNG
(US10214534, Compound 2013)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C36H32F3N3O6/c1-35(2,3)42-31(43)23-7-5-6-22(18-23)26-19-27-29(32(44)40-4)30(48-33(27)41-28(26)16-17-36(37,38)39)20-8-12-24(13-9-20)47-25-14-10-21(11-15-25)34(45)46/h5-15,18-19H,16-17H2,1-4H3,(H,40,44)(H,42,43)(H,45,46)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357834
PNG
(US10214534, Compound 3002)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C31H29F6N3O4/c1-29(2,3)40-26(41)19-7-5-6-18(14-19)21-15-22-24(27(42)38-4)25(44-28(22)39-23(21)12-13-30(32,33)34)17-8-10-20(11-9-17)43-16-31(35,36)37/h5-11,14-15H,12-13,16H2,1-4H3,(H,38,42)(H,40,41)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357835
PNG
(US10214534, Compound 4001)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C33H35F3N4O3/c1-32(2,3)39-29(41)22-9-7-8-21(18-22)24-19-25-27(30(42)37-4)28(43-31(25)38-26(24)14-15-33(34,35)36)20-10-12-23(13-11-20)40-16-5-6-17-40/h7-13,18-19H,5-6,14-17H2,1-4H3,(H,37,42)(H,39,41)
PDB

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n/an/an/an/a>1.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357836
PNG
(Step 1: Preparation of 5-bromo-6-chloro-3-((4-chlo...)
Show SMILES CNC(=O)c1c(oc2nc(NCC(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(NCC(F)F)cc1
Show InChI InChI=1S/C30H31F4N5O3/c1-30(2,3)39-27(40)18-7-5-6-17(12-18)20-13-21-24(28(41)35-4)25(42-29(21)38-26(20)37-15-23(33)34)16-8-10-19(11-9-16)36-14-22(31)32/h5-13,22-23,36H,14-15H2,1-4H3,(H,35,41)(H,37,38)(H,39,40)
PDB

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n/an/an/an/a 9.40n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357837
PNG
(US10214534, Compound 5001)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C35H32F3N3O3S/c1-34(2,3)41-31(42)23-10-8-9-22(19-23)26-20-27-29(32(43)39-4)30(44-33(27)40-28(26)17-18-35(36,37)38)21-13-15-25(16-14-21)45-24-11-6-5-7-12-24/h5-16,19-20H,17-18H2,1-4H3,(H,39,43)(H,41,42)
PDB

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n/an/an/an/a 160n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357791
PNG
(US10214534, Compound 1001)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C36H37N3O6S/c1-7-39(46(6,42)43)30-22-31-29(21-28(30)24-12-11-13-25(20-24)34(40)38-36(2,3)4)32(35(41)37-5)33(45-31)23-16-18-27(19-17-23)44-26-14-9-8-10-15-26/h8-22H,7H2,1-6H3,(H,37,41)(H,38,40)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357799
PNG
(US10214534, Compound 1003)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2cccc(F)c2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C36H36FN3O6S/c1-7-40(47(6,43)44)30-21-31-29(20-28(30)23-10-8-11-24(18-23)34(41)39-36(2,3)4)32(35(42)38-5)33(46-31)22-14-16-26(17-15-22)45-27-13-9-12-25(37)19-27/h8-21H,7H2,1-6H3,(H,38,42)(H,39,41)
PDB

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n/an/an/an/a 2.30n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357802
PNG
(US10214534, Compound 1006)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2cccc(OC)c2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C37H39N3O7S/c1-8-40(48(7,43)44)31-22-32-30(21-29(31)24-11-9-12-25(19-24)35(41)39-37(2,3)4)33(36(42)38-5)34(47-32)23-15-17-26(18-16-23)46-28-14-10-13-27(20-28)45-6/h9-22H,8H2,1-7H3,(H,38,42)(H,39,41)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357808
PNG
(US10214534, Compound 1014)
Show SMILES CCOC(=O)c1c(oc2cc(c(O)cc12)[N+]([O-])=O)-c1ccc(Oc2cccc(O)c2)cc1
Show InChI InChI=1S/C23H17NO8/c1-2-30-23(27)21-17-11-19(26)18(24(28)29)12-20(17)32-22(21)13-6-8-15(9-7-13)31-16-5-3-4-14(25)10-16/h3-12,25-26H,2H2,1H3
PDB

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n/an/an/an/a 9.94E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357819
PNG
(US10214534, Compound 2001)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C35H32F3N3O4/c1-34(2,3)41-31(42)23-10-8-9-22(19-23)26-20-27-29(32(43)39-4)30(45-33(27)40-28(26)17-18-35(36,37)38)21-13-15-25(16-14-21)44-24-11-6-5-7-12-24/h5-16,19-20H,17-18H2,1-4H3,(H,39,43)(H,41,42)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357840
PNG
(Step 1: Preparation of 6-chloro-N-methyl-2-(p-toly...)
Show SMILES CCNc1nc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC1(CC1)C(F)(F)F)-c1ccc(C)cc1
Show InChI InChI=1S/C29H27F3N4O3/c1-4-34-24-20(18-6-5-7-19(14-18)25(37)36-28(12-13-28)29(30,31)32)15-21-22(26(38)33-3)23(39-27(21)35-24)17-10-8-16(2)9-11-17/h5-11,14-15H,4,12-13H2,1-3H3,(H,33,38)(H,34,35)(H,36,37)
PDB

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n/an/an/an/a 6.10n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357809
PNG
(US10214534, Compound 1015)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC1(C)CC1)-c1ccc(Oc2cccc(F)c2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C36H34FN3O6S/c1-5-40(47(4,43)44)30-21-31-29(20-28(30)23-8-6-9-24(18-23)34(41)39-36(2)16-17-36)32(35(42)38-3)33(46-31)22-12-14-26(15-13-22)45-27-11-7-10-25(37)19-27/h6-15,18-21H,5,16-17H2,1-4H3,(H,38,42)(H,39,41)
PDB

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n/an/an/an/a>1.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357812
PNG
(US10214534, Compound 1018)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(N)=O)-c1ccc(Oc2cccc(F)c2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H28FN3O6S/c1-4-36(43(3,39)40)27-18-28-26(17-25(27)20-7-5-8-21(15-20)31(34)37)29(32(38)35-2)30(42-28)19-11-13-23(14-12-19)41-24-10-6-9-22(33)16-24/h5-18H,4H2,1-3H3,(H2,34,37)(H,35,38)
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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357813
PNG
(US10214534, Compound 1019)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)N[C@@H](C)C(F)(F)F)-c1ccc(Oc2cccc(Cl)c2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C35H31ClF3N3O6S/c1-5-42(49(4,45)46)29-19-30-28(18-27(29)22-8-6-9-23(16-22)33(43)41-20(2)35(37,38)39)31(34(44)40-3)32(48-30)21-12-14-25(15-13-21)47-26-11-7-10-24(36)17-26/h6-20H,5H2,1-4H3,(H,40,44)(H,41,43)/t20-/m0/s1
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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357814
PNG
(US10214534, Compound 1020)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)NCC(F)(F)F)-c1ccc(Oc2cccc(F)c2)cc1
Show InChI InChI=1S/C33H27F4N3O6S/c1-38-32(42)29-26-16-25(20-6-4-7-21(14-20)31(41)39-18-33(35,36)37)27(40(2)47(3,43)44)17-28(26)46-30(29)19-10-12-23(13-11-19)45-24-9-5-8-22(34)15-24/h4-17H,18H2,1-3H3,(H,38,42)(H,39,41)
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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357815
PNG
(US10214534, Compound 1021)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2cccc(F)c2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C37H38FN3O7S/c1-8-41(49(7,44)45)30-21-32-28(20-27(30)23-14-17-31(46-6)29(18-23)35(42)40-37(2,3)4)33(36(43)39-5)34(48-32)22-12-15-25(16-13-22)47-26-11-9-10-24(38)19-26/h9-21H,8H2,1-7H3,(H,39,43)(H,40,42)
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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357828
PNG
(US10214534, Compound 2010)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C36H34F3N3O5/c1-35(2,3)42-32(43)23-10-8-9-22(19-23)25-20-26-30(33(44)40-4)31(47-34(26)41-27(25)17-18-36(37,38)39)21-13-15-24(16-14-21)46-29-12-7-6-11-28(29)45-5/h6-16,19-20H,17-18H2,1-5H3,(H,40,44)(H,42,43)
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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357829
PNG
(US10214534, Compound 2011)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C34H31F3N4O4/c1-33(2,3)41-30(42)22-8-5-7-21(17-22)25-18-26-28(31(43)38-4)29(45-32(26)40-27(25)14-15-34(35,36)37)20-10-12-23(13-11-20)44-24-9-6-16-39-19-24/h5-13,16-19H,14-15H2,1-4H3,(H,38,43)(H,41,42)
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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357830
PNG
(US10214534, Compound 2012)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccccn2)cc1
Show InChI InChI=1S/C34H31F3N4O4/c1-33(2,3)41-30(42)22-9-7-8-21(18-22)24-19-25-28(31(43)38-4)29(45-32(25)40-26(24)15-16-34(35,36)37)20-11-13-23(14-12-20)44-27-10-5-6-17-39-27/h5-14,17-19H,15-16H2,1-4H3,(H,38,43)(H,41,42)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357839
PNG
(Step 1: Preparation of 5-bromo-6-chloro-3-(p-tolyl...)
Show SMILES CCNc1nc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(C)cc1
Show InChI InChI=1S/C29H32N4O3/c1-7-31-25-21(19-9-8-10-20(15-19)26(34)33-29(3,4)5)16-22-23(27(35)30-6)24(36-28(22)32-25)18-13-11-17(2)12-14-18/h8-16H,7H2,1-6H3,(H,30,35)(H,31,32)(H,33,34)
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n/an/an/an/a 3.60n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357800
PNG
(US10214534, Compound 1004)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccccc2F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C36H36FN3O6S/c1-7-40(47(6,43)44)29-21-31-27(20-26(29)23-11-10-12-24(19-23)34(41)39-36(2,3)4)32(35(42)38-5)33(46-31)22-15-17-25(18-16-22)45-30-14-9-8-13-28(30)37/h8-21H,7H2,1-6H3,(H,38,42)(H,39,41)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357810
PNG
(US10214534, Compound 1016)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(N)=O)-c1ccc(Oc2cccc(Cl)c2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H28ClN3O6S/c1-4-36(43(3,39)40)27-18-28-26(17-25(27)20-7-5-8-21(15-20)31(34)37)29(32(38)35-2)30(42-28)19-11-13-23(14-12-19)41-24-10-6-9-22(33)16-24/h5-18H,4H2,1-3H3,(H2,34,37)(H,35,38)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357820
PNG
(US10214534, Compound 2002)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccc(C)cc2)cc1
Show InChI InChI=1S/C36H34F3N3O4/c1-21-9-13-25(14-10-21)45-26-15-11-22(12-16-26)31-30(33(44)40-5)28-20-27(29(41-34(28)46-31)17-18-36(37,38)39)23-7-6-8-24(19-23)32(43)42-35(2,3)4/h6-16,19-20H,17-18H2,1-5H3,(H,40,44)(H,42,43)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357838
PNG
(US10214534, Compound 6001)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(cc1)C(C#N)C(N)=O
Show InChI InChI=1S/C32H30F3N5O4/c1-31(2,3)40-28(42)20-7-5-6-19(14-20)21-15-22-25(29(43)38-4)26(44-30(22)39-24(21)12-13-32(33,34)35)18-10-8-17(9-11-18)23(16-36)27(37)41/h5-11,14-15,23H,12-13H2,1-4H3,(H2,37,41)(H,38,43)(H,40,42)
PDB

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n/an/an/an/a 340n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357801
PNG
(US10214534, Compound 1005)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccc(OC)cc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C37H39N3O7S/c1-8-40(48(7,43)44)31-22-32-30(21-29(31)24-10-9-11-25(20-24)35(41)39-37(2,3)4)33(36(42)38-5)34(47-32)23-12-14-27(15-13-23)46-28-18-16-26(45-6)17-19-28/h9-22H,8H2,1-7H3,(H,38,42)(H,39,41)
PDB

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n/an/an/an/a 120n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357822
PNG
(US10214534, Compound 2004)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C35H31F4N3O4/c1-34(2,3)42-31(43)22-7-5-6-21(18-22)26-19-27-29(32(44)40-4)30(46-33(27)41-28(26)16-17-35(37,38)39)20-8-12-24(13-9-20)45-25-14-10-23(36)11-15-25/h5-15,18-19H,16-17H2,1-4H3,(H,40,44)(H,42,43)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357825
PNG
(US10214534, Compound 2007)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2cccc(C)c2)cc1
Show InChI InChI=1S/C36H34F3N3O4/c1-21-8-6-11-26(18-21)45-25-14-12-22(13-15-25)31-30(33(44)40-5)28-20-27(29(41-34(28)46-31)16-17-36(37,38)39)23-9-7-10-24(19-23)32(43)42-35(2,3)4/h6-15,18-20H,16-17H2,1-5H3,(H,40,44)(H,42,43)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357827
PNG
(US10214534, Compound 2009)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2cccc(OC)c2)cc1
Show InChI InChI=1S/C36H34F3N3O5/c1-35(2,3)42-32(43)23-9-6-8-22(18-23)27-20-28-30(33(44)40-4)31(47-34(28)41-29(27)16-17-36(37,38)39)21-12-14-24(15-13-21)46-26-11-7-10-25(19-26)45-5/h6-15,18-20H,16-17H2,1-5H3,(H,40,44)(H,42,43)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357832
PNG
(US10214534, Compound 2014)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1ccc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(Oc2cccc(F)c2)cc1
Show InChI InChI=1S/C39H31F4N5O5/c1-44-35(50)32-29-21-27(23-9-12-31(51-2)28(19-23)34(49)48-38(15-16-38)37-45-17-4-18-46-37)30(13-14-39(41,42)43)47-36(29)53-33(32)22-7-10-25(11-8-22)52-26-6-3-5-24(40)20-26/h3-12,17-21H,13-16H2,1-2H3,(H,44,50)(H,48,49)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357833
PNG
(US10214534, Compound 3001)
Show SMILES CCCCOc1ccc(cc1)-c1oc2nc(CCC(F)(F)F)c(cc2c1C(=O)NC)-c1cccc(c1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H36F3N3O4/c1-6-7-17-42-23-13-11-20(12-14-23)28-27(30(41)37-5)25-19-24(26(38-31(25)43-28)15-16-33(34,35)36)21-9-8-10-22(18-21)29(40)39-32(2,3)4/h8-14,18-19H,6-7,15-17H2,1-5H3,(H,37,41)(H,39,40)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357798
PNG
(US10214534, Compound 1002)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccc(F)cc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C36H36FN3O6S/c1-7-40(47(6,43)44)30-21-31-29(20-28(30)23-9-8-10-24(19-23)34(41)39-36(2,3)4)32(35(42)38-5)33(46-31)22-11-15-26(16-12-22)45-27-17-13-25(37)14-18-27/h8-21H,7H2,1-6H3,(H,38,42)(H,39,41)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357803
PNG
(US10214534, Compound 1007)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2ccccc2OC)cc1)S(C)(=O)=O
Show InChI InChI=1S/C37H39N3O7S/c1-8-40(48(7,43)44)29-22-32-28(21-27(29)24-12-11-13-25(20-24)35(41)39-37(2,3)4)33(36(42)38-5)34(47-32)23-16-18-26(19-17-23)46-31-15-10-9-14-30(31)45-6/h9-22H,8H2,1-7H3,(H,38,42)(H,39,41)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 24n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357805
PNG
(US10214534, Compound 1010)
Show SMILES CCN(CC)c1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(N)=O)-c1ccc(Oc2cccc(F)c2)cc1
Show InChI InChI=1S/C34H32FN3O5/c1-5-38(6-2)28-19-30-26(18-25(28)21-12-15-29(41-4)27(16-21)33(36)39)31(34(40)37-3)32(43-30)20-10-13-23(14-11-20)42-24-9-7-8-22(35)17-24/h7-19H,5-6H2,1-4H3,(H2,36,39)(H,37,40)
PDB

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US Patent
n/an/an/an/a 550n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357807
PNG
(US10214534, Compound 1013)
Show SMILES CCNc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)CC(O)=O)-c1ccc(Oc2cccc(F)c2)cc1
Show InChI InChI=1S/C36H34FN3O6/c1-5-39-29-19-30-28(18-27(29)22-8-6-9-23(16-22)34(43)40-36(2,3)20-31(41)42)32(35(44)38-4)33(46-30)21-12-14-25(15-13-21)45-26-11-7-10-24(37)17-26/h6-19,39H,5,20H2,1-4H3,(H,38,44)(H,40,43)(H,41,42)
PDB

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n/an/an/an/a 550n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357817
PNG
(US10214534, Compound 1023)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NCC(C)(C)CO)-c1ccc(Oc2cccc(F)c2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C37H38FN3O7S/c1-6-41(49(5,45)46)31-20-32-30(19-29(31)24-9-7-10-25(17-24)35(43)40-21-37(2,3)22-42)33(36(44)39-4)34(48-32)23-13-15-27(16-14-23)47-28-12-8-11-26(38)18-28/h7-20,42H,6,21-22H2,1-5H3,(H,39,44)(H,40,43)
PDB

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US Patent
n/an/an/an/a 2.80n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357823
PNG
(US10214534, Compound 2005)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C)-c1ccc(Oc2cccc(F)c2)cc1
Show InChI InChI=1S/C35H31F4N3O4/c1-34(2,3)42-31(43)22-8-5-7-21(17-22)26-19-27-29(32(44)40-4)30(46-33(27)41-28(26)15-16-35(37,38)39)20-11-13-24(14-12-20)45-25-10-6-9-23(36)18-25/h5-14,17-19H,15-16H2,1-4H3,(H,40,44)(H,42,43)
PDB

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n/an/an/an/a<100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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


(Hepatitis C Virus (Virus))
BDBM357806
PNG
(US10214534, Compound 1012)
Show SMILES CCN(CC)c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)C(O)=O)-c1ccc(Oc2cccc(F)c2)cc1
Show InChI InChI=1S/C37H36FN3O6/c1-6-41(7-2)30-21-31-29(20-28(30)23-10-8-11-24(18-23)34(42)40-37(3,4)36(44)45)32(35(43)39-5)33(47-31)22-14-16-26(17-15-22)46-27-13-9-12-25(38)19-27/h8-21H,6-7H2,1-5H3,(H,39,43)(H,40,42)(H,44,45)
PDB

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n/an/an/an/a 1.47E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10214534 (2019)

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