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Patent code US10087167

Compile Data Set for Download or QSAR
Found 32 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
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288002
PNG
(US10087167, Compound 4011)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCC(CC1)=C(c1ccccc1)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C44H39F2N3O5S/c1-47-43(50)41-37-27-36(38(49(25-22-45)55(2,52)53)28-39(37)54-42(41)32-16-18-35(46)19-17-32)33-14-9-15-34(26-33)44(51)48-23-20-31(21-24-48)40(29-10-5-3-6-11-29)30-12-7-4-8-13-30/h3-19,26-28H,20-25H2,1-2H3,(H,47,50)
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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288017
PNG
(US10087167, Compound 4026)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCNC(=O)C11CCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H34F2N4O6S/c1-37-31(41)29-26-19-25(22-6-5-7-23(18-22)32(42)39-17-15-38-33(43)34(39)12-3-4-13-34)27(40(16-14-35)47(2,44)45)20-28(26)46-30(29)21-8-10-24(36)11-9-21/h5-11,18-20H,3-4,12-17H2,1-2H3,(H,37,41)(H,38,43)
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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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM287983
PNG
(US10087167, Compound 1001)
Show SMILES CCN(CC)c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)N1CC(F)(F)C1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H28F3N3O3/c1-4-35(5-2)24-15-25-23(26(28(37)34-3)27(39-25)18-9-11-21(31)12-10-18)14-22(24)19-7-6-8-20(13-19)29(38)36-16-30(32,33)17-36/h6-15H,4-5,16-17H2,1-3H3,(H,34,37)
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n/an/an/an/a 45.4n/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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM287990
PNG
(US10087167, Compound 4001)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCN(CC1)C(=O)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C32H29F5N4O6S/c1-38-29(42)27-24-17-23(20-4-3-5-21(16-20)30(43)39-12-14-40(15-13-39)31(44)32(35,36)37)25(41(11-10-33)48(2,45)46)18-26(24)47-28(27)19-6-8-22(34)9-7-19/h3-9,16-18H,10-15H2,1-2H3,(H,38,42)
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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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM287999
PNG
(US10087167, Compound 4008)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCN(CC1)c1nnnn1-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C37H34F2N8O5S/c1-40-35(48)33-30-22-29(31(46(16-15-38)53(2,50)51)23-32(30)52-34(33)24-11-13-27(39)14-12-24)25-7-6-8-26(21-25)36(49)44-17-19-45(20-18-44)37-41-42-43-47(37)28-9-4-3-5-10-28/h3-14,21-23H,15-20H2,1-2H3,(H,40,48)
PDB

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n/an/an/an/a 107n/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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288000
PNG
(US10087167, Compound 4009)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCN(C[C@@H]1C)c1nnnn1-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C38H36F2N8O5S/c1-24-23-45(38-42-43-44-48(38)29-10-5-4-6-11-29)18-19-46(24)37(50)27-9-7-8-26(20-27)30-21-31-33(22-32(30)47(17-16-39)54(3,51)52)53-35(34(31)36(49)41-2)25-12-14-28(40)15-13-25/h4-15,20-22,24H,16-19,23H2,1-3H3,(H,41,49)/t24-/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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288007
PNG
(US10087167, Compound 4016)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCCC1c1ccc(cc1)N(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C38H38F2N4O5S/c1-41-37(45)35-31-22-30(33(44(20-18-39)50(4,47)48)23-34(31)49-36(35)25-10-14-28(40)15-11-25)26-7-5-8-27(21-26)38(46)43-19-6-9-32(43)24-12-16-29(17-13-24)42(2)3/h5,7-8,10-17,21-23,32H,6,9,18-20H2,1-4H3,(H,41,45)
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n/an/an/an/a 84.8n/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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM287991
PNG
(US10087167, Compound 4002)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCN(CC1)C1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H34F2N4O5S/c1-36-32(40)30-27-19-26(22-4-3-5-23(18-22)33(41)38-16-14-37(15-17-38)25-10-11-25)28(39(13-12-34)45(2,42)43)20-29(27)44-31(30)21-6-8-24(35)9-7-21/h3-9,18-20,25H,10-17H2,1-2H3,(H,36,40)
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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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288005
PNG
(US10087167, Compound 4014)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCC(CC1)=C(C#N)c1ccccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C38H33F2N5O5S/c1-42-37(46)35-30-21-29(33(45(19-15-39)51(2,48)49)22-34(30)50-36(35)25-9-11-28(40)12-10-25)26-6-5-7-27(20-26)38(47)44-17-13-24(14-18-44)31(23-41)32-8-3-4-16-43-32/h3-12,16,20-22H,13-15,17-19H2,1-2H3,(H,42,46)
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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288006
PNG
(US10087167, Compound 4015)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCCC1C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C31H28F5N3O5S/c1-37-29(40)27-23-16-22(19-5-3-6-20(15-19)30(41)38-13-4-7-26(38)31(34,35)36)24(39(14-12-32)45(2,42)43)17-25(23)44-28(27)18-8-10-21(33)11-9-18/h3,5-6,8-11,15-17,26H,4,7,12-14H2,1-2H3,(H,37,40)
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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM287995
PNG
(US10087167, Compound 4005)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCN(CC1CC(=O)OC)C(=O)OC(C)(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C38H42F2N4O9S/c1-38(2,3)53-37(48)42-16-17-43(27(22-42)19-32(45)51-5)36(47)25-9-7-8-24(18-25)28-20-29-31(21-30(28)44(15-14-39)54(6,49)50)52-34(33(29)35(46)41-4)23-10-12-26(40)13-11-23/h7-13,18,20-21,27H,14-17,19,22H2,1-6H3,(H,41,46)
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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288004
PNG
(US10087167, Compound 4013)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCC(CC1)=C(C#N)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C39H34F2N4O5S/c1-43-38(46)36-32-22-31(34(45(20-17-40)51(2,48)49)23-35(32)50-37(36)27-11-13-30(41)14-12-27)28-9-6-10-29(21-28)39(47)44-18-15-26(16-19-44)33(24-42)25-7-4-3-5-8-25/h3-14,21-23H,15-20H2,1-2H3,(H,43,46)
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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288008
PNG
(US10087167, Compound 4017)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C31H30F2N4O6S/c1-35-30(39)27-23-16-22(19-5-3-6-20(15-19)31(40)36-13-4-7-24(36)29(34)38)25(37(14-12-32)44(2,41)42)17-26(23)43-28(27)18-8-10-21(33)11-9-18/h3,5-6,8-11,15-17,24H,4,7,12-14H2,1-2H3,(H2,34,38)(H,35,39)/t24-/m1/s1
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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288009
PNG
(US10087167, Compound 4018)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CC(O)C[C@H]1C(=O)OCc1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C38H35F2N3O8S/c1-41-36(45)34-30-19-29(31(43(16-15-39)52(2,48)49)20-33(30)51-35(34)24-11-13-27(40)14-12-24)25-9-6-10-26(17-25)37(46)42-21-28(44)18-32(42)38(47)50-22-23-7-4-3-5-8-23/h3-14,17,19-20,28,32,44H,15-16,18,21-22H2,1-2H3,(H,41,45)/t28?,32-/m0/s1
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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM287997
PNG
(US10087167, Compound 4006)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCN(CC1)C(=N\C#N)\c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C38H34F2N6O5S/c1-42-37(47)34-31-22-30(32(46(16-15-39)52(2,49)50)23-33(31)51-35(34)25-11-13-29(40)14-12-25)27-9-6-10-28(21-27)38(48)45-19-17-44(18-20-45)36(43-24-41)26-7-4-3-5-8-26/h3-14,21-23H,15-20H2,1-2H3,(H,42,47)/b43-36+
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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM287989
PNG
(US10087167, Compound 3003)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)N1CCN(C(C1)C#N)S(C)(=O)=O)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H32FN5O7S2/c1-5-37(46(3,41)42)27-17-28-26(29(31(39)35-2)30(45-28)20-9-11-23(33)12-10-20)16-25(27)21-7-6-8-22(15-21)32(40)36-13-14-38(47(4,43)44)24(18-34)19-36/h6-12,15-17,24H,5,13-14,19H2,1-4H3,(H,35,39)
PDB

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n/an/an/an/a 25.2n/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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM287994
PNG
(US10087167, Compound 4004)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCN(CC1)C(=O)N1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H37F2N5O7S/c1-38-33(43)31-28-21-27(29(42(11-10-36)50(2,46)47)22-30(28)49-32(31)23-6-8-26(37)9-7-23)24-4-3-5-25(20-24)34(44)39-12-14-40(15-13-39)35(45)41-16-18-48-19-17-41/h3-9,20-22H,10-19H2,1-2H3,(H,38,43)
PDB

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n/an/an/an/a 1.69E+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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM287998
PNG
(US10087167, Compound 4007)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCN(CC1)C(=C(C#N)C#N)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C40H34F2N6O5S/c1-45-39(49)36-33-22-32(34(48(16-15-41)54(2,51)52)23-35(33)53-38(36)27-11-13-31(42)14-12-27)28-9-6-10-29(21-28)40(50)47-19-17-46(18-20-47)37(30(24-43)25-44)26-7-4-3-5-8-26/h3-14,21-23H,15-20H2,1-2H3,(H,45,49)
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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288003
PNG
(US10087167, Compound 4012)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCC(CC1)=C(c1nnc(C)o1)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C41H37F2N5O6S/c1-25-45-46-40(53-25)36(26-8-5-4-6-9-26)27-16-19-47(20-17-27)41(50)30-11-7-10-29(22-30)32-23-33-35(24-34(32)48(21-18-42)55(3,51)52)54-38(37(33)39(49)44-2)28-12-14-31(43)15-13-28/h4-15,22-24H,16-21H2,1-3H3,(H,44,49)
PDB

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n/an/an/an/a 27.1n/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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288012
PNG
(US10087167, Compound 4021)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CC[C@H](C1)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C31H28F2N4O5S/c1-35-30(38)28-25-15-24(21-4-3-5-22(14-21)31(39)36-12-10-19(17-34)18-36)26(37(13-11-32)43(2,40)41)16-27(25)42-29(28)20-6-8-23(33)9-7-20/h3-9,14-16,19H,10-13,18H2,1-2H3,(H,35,38)/t19-/m0/s1
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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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288013
PNG
(US10087167, Compound 4022)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCC(C1)(NC(=O)OC(C)(C)C)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C36H37F5N4O7S/c1-34(2,3)52-33(48)43-35(36(39,40)41)13-15-44(20-35)32(47)23-8-6-7-22(17-23)25-18-26-28(19-27(25)45(16-14-37)53(5,49)50)51-30(29(26)31(46)42-4)21-9-11-24(38)12-10-21/h6-12,17-19H,13-16,20H2,1-5H3,(H,42,46)(H,43,48)
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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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288015
PNG
(US10087167, Compound 4024)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CC[C@@H](F)C1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H28F3N3O5S/c1-34-29(37)27-24-15-23(19-4-3-5-20(14-19)30(38)35-12-10-22(33)17-35)25(36(13-11-31)42(2,39)40)16-26(24)41-28(27)18-6-8-21(32)9-7-18/h3-9,14-16,22H,10-13,17H2,1-2H3,(H,34,37)/t22-/m1/s1
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n/an/an/an/a 76.5n/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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM287988
PNG
(US10087167, Compound 3002)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)N1CCN(C[C@H]1C#N)C(=O)OC(C)(C)C)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C36H38FN5O7S/c1-7-42(50(6,46)47)29-19-30-28(31(33(43)39-5)32(48-30)22-11-13-25(37)14-12-22)18-27(29)23-9-8-10-24(17-23)34(44)41-16-15-40(21-26(41)20-38)35(45)49-36(2,3)4/h8-14,17-19,26H,7,15-16,21H2,1-6H3,(H,39,43)/t26-/m1/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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM287992
PNG
(US10087167, Compound 4003)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCN(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H32F2N6O5S/c1-37-32(43)30-27-20-26(23-5-3-6-24(19-23)33(44)40-15-17-41(18-16-40)34-38-12-4-13-39-34)28(42(14-11-35)48(2,45)46)21-29(27)47-31(30)22-7-9-25(36)10-8-22/h3-10,12-13,19-21H,11,14-18H2,1-2H3,(H,37,43)
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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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288001
PNG
(US10087167, Compound 4010)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCN([C@H](C)C1)c1nnnn1-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C38H36F2N8O5S/c1-24-23-45(18-19-46(24)38-42-43-44-48(38)29-10-5-4-6-11-29)37(50)27-9-7-8-26(20-27)30-21-31-33(22-32(30)47(17-16-39)54(3,51)52)53-35(34(31)36(49)41-2)25-12-14-28(40)15-13-25/h4-15,20-22,24H,16-19,23H2,1-3H3,(H,41,49)/t24-/m1/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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288011
PNG
(US10087167, Compound 4020)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CC[C@H](F)C1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H28F3N3O5S/c1-34-29(37)27-24-15-23(19-4-3-5-20(14-19)30(38)35-12-10-22(33)17-35)25(36(13-11-31)42(2,39)40)16-26(24)41-28(27)18-6-8-21(32)9-7-18/h3-9,14-16,22H,10-13,17H2,1-2H3,(H,34,37)/t22-/m0/s1
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n/an/an/an/a 45n/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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288016
PNG
(US10087167, Compound 4025)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CC(F)(F)C(F)(F)C1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H25F6N3O5S/c1-37-27(40)25-22-13-21(18-4-3-5-19(12-18)28(41)38-15-29(33,34)30(35,36)16-38)23(39(11-10-31)45(2,42)43)14-24(22)44-26(25)17-6-8-20(32)9-7-17/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,37,40)
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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288018
PNG
(US10087167, Compound 4027)
Show SMILES CCOC(=O)CC1N(CCNC1=O)C(=O)c1cccc(c1)-c1cc2c(C(=O)NC)c(oc2cc1N(CCF)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C34H34F2N4O8S/c1-4-47-29(41)19-27-32(42)38-13-15-39(27)34(44)22-7-5-6-21(16-22)24-17-25-28(18-26(24)40(14-12-35)49(3,45)46)48-31(30(25)33(43)37-2)20-8-10-23(36)11-9-20/h5-11,16-18,27H,4,12-15,19H2,1-3H3,(H,37,43)(H,38,42)
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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM287985
PNG
(US10087167, Compound 2001)
Show SMILES CCNc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)N1CCNC(C1)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C30H28FN5O3/c1-3-34-25-15-26-24(27(29(37)33-2)28(39-26)18-7-9-21(31)10-8-18)14-23(25)19-5-4-6-20(13-19)30(38)36-12-11-35-22(16-32)17-36/h4-10,13-15,22,34-35H,3,11-12,17H2,1-2H3,(H,33,37)
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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM287986
PNG
(US10087167, Compound 3001)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)N1CCN(C[C@@H]1C#N)C(=O)OC(C)(C)C)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C36H38FN5O7S/c1-7-42(50(6,46)47)29-19-30-28(31(33(43)39-5)32(48-30)22-11-13-25(37)14-12-22)18-27(29)23-9-8-10-24(17-23)34(44)41-16-15-40(21-26(41)20-38)35(45)49-36(2,3)4/h8-14,17-19,26H,7,15-16,21H2,1-6H3,(H,39,43)/t26-/m0/s1
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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288014
PNG
(US10087167, Compound 4023)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CCCC1c1nccs1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H30F2N4O5S2/c1-36-31(40)29-25-18-24(21-5-3-6-22(17-21)33(41)38-14-4-7-26(38)32-37-13-16-45-32)27(39(15-12-34)46(2,42)43)19-28(25)44-30(29)20-8-10-23(35)11-9-20/h3,5-6,8-11,13,16-19,26H,4,7,12,14-15H2,1-2H3,(H,36,40)
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 US10087167 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM288010
PNG
(US10087167, Compound 4019)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N1CC(F)(F)C[C@H]1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C31H28F4N4O6S/c1-37-29(41)26-22-13-21(18-4-3-5-19(12-18)30(42)38-16-31(34,35)15-24(38)28(36)40)23(39(11-10-32)46(2,43)44)14-25(22)45-27(26)17-6-8-20(33)9-7-17/h3-9,12-14,24H,10-11,15-16H2,1-2H3,(H2,36,40)(H,37,41)/t24-/m0/s1
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 US10087167 (2018)

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