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Patent code US10131645

Compile Data Set for Download or QSAR
Found 33 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))
BDBM300772
PNG
(US10131645, Compound 1003)
Show SMILES CCNc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NCC(C)(C)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H34FN3O3/c1-5-38-29-20-30-28(31(34(41)37-4)32(42-30)22-14-16-26(36)17-15-22)19-27(29)23-10-9-11-24(18-23)33(40)39-21-35(2,3)25-12-7-6-8-13-25/h6-20,38H,5,21H2,1-4H3,(H,37,41)(H,39,40)
PDB

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US Patent
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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300793
PNG
(US10131645, Compound 4002)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N[C@@H](COC)C1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H33F2N3O6S/c1-35-32(39)29-25-16-24(21-5-4-6-22(15-21)31(38)36-26(18-42-2)19-7-8-19)27(37(14-13-33)44(3,40)41)17-28(25)43-30(29)20-9-11-23(34)12-10-20/h4-6,9-12,15-17,19,26H,7-8,13-14,18H2,1-3H3,(H,35,39)(H,36,38)/t26-/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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300784
PNG
(US10131645, Compound 2003)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C1CC1)C(F)(F)F)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H29F4N3O5S/c1-4-38(44(3,41)42)24-16-25-23(26(30(40)36-2)27(43-25)17-10-12-21(32)13-11-17)15-22(24)19-6-5-7-20(14-19)29(39)37-28(18-8-9-18)31(33,34)35/h5-7,10-16,18,28H,4,8-9H2,1-3H3,(H,36,40)(H,37,39)
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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300794
PNG
(US10131645, Compound 4003)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N[C@@H](CO)C1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H31F2N3O6S/c1-34-31(39)28-24-15-23(20-4-3-5-21(14-20)30(38)35-25(17-37)18-6-7-18)26(36(13-12-32)43(2,40)41)16-27(24)42-29(28)19-8-10-22(33)11-9-19/h3-5,8-11,14-16,18,25,37H,6-7,12-13,17H2,1-2H3,(H,34,39)(H,35,38)/t25-/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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300801
PNG
(US10131645, Compound 6005)
Show SMILES CCN(CC)c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NCC(C(O)=O)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C31H29F4N3O5/c1-4-38(5-2)24-15-25-22(26(29(40)36-3)27(43-25)17-9-11-20(32)12-10-17)14-21(24)18-7-6-8-19(13-18)28(39)37-16-23(30(41)42)31(33,34)35/h6-15,23H,4-5,16H2,1-3H3,(H,36,40)(H,37,39)(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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300775
PNG
(US10131645, Compound 1006)
Show SMILES CCNc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C#N)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27FN4O3/c1-3-37-27-18-29-26(30(33(40)36-2)31(41-29)21-12-14-24(34)15-13-21)17-25(27)22-10-7-11-23(16-22)32(39)38-28(19-35)20-8-5-4-6-9-20/h4-18,28,37H,3H2,1-2H3,(H,36,40)(H,38,39)
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n/an/an/an/a 16.2n/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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300790
PNG
(US10131645, Compound 2009)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C#N)C1CC1)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H31FN4O5S/c1-5-37(43(4,40)41)26-17-27-25(28(31(39)35-3)29(42-27)19-9-13-23(33)14-10-19)16-24(26)20-7-6-8-21(15-20)30(38)36-32(2,18-34)22-11-12-22/h6-10,13-17,22H,5,11-12H2,1-4H3,(H,35,39)(H,36,38)
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n/an/an/an/a 3.20n/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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300800
PNG
(US10131645, Compound 6004)
Show SMILES CCN(CC)c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)N[C@@]1(C[C@@H]1CO)C(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C32H32FN3O6/c1-4-36(5-2)25-15-26-24(27(30(39)34-3)28(42-26)18-9-11-22(33)12-10-18)14-23(25)19-7-6-8-20(13-19)29(38)35-32(31(40)41)16-21(32)17-37/h6-15,21,37H,4-5,16-17H2,1-3H3,(H,34,39)(H,35,38)(H,40,41)/t21-,32-/m1/s1
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n/an/an/an/a 946n/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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300778
PNG
(US10131645, Compound 1009)
Show SMILES CCNc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC[C@H](F)CO)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27F2N3O4/c1-3-32-23-13-24-22(25(28(36)31-2)26(37-24)16-7-9-19(29)10-8-16)12-21(23)17-5-4-6-18(11-17)27(35)33-14-20(30)15-34/h4-13,20,32,34H,3,14-15H2,1-2H3,(H,31,36)(H,33,35)/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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300783
PNG
(US10131645, Compound 2002)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(c1ccccn1)C(F)(F)F)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C33H28F4N4O5S/c1-4-41(47(3,44)45)26-18-27-24(28(32(43)38-2)29(46-27)19-11-13-22(34)14-12-19)17-23(26)20-8-7-9-21(16-20)31(42)40-30(33(35,36)37)25-10-5-6-15-39-25/h5-18,30H,4H2,1-3H3,(H,38,43)(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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300798
PNG
(US10131645, Compound 6001)
Show SMILES CCN(CC)c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C(N)=O)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H33FN4O4/c1-4-40(5-2)28-20-29-27(30(35(43)38-3)32(44-29)22-14-16-25(36)17-15-22)19-26(28)23-12-9-13-24(18-23)34(42)39-31(33(37)41)21-10-7-6-8-11-21/h6-20,31H,4-5H2,1-3H3,(H2,37,41)(H,38,43)(H,39,42)
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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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300771
PNG
(US10131645, Compound 1002)
Show SMILES CCNc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NCC(F)(F)c1ccccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H27F3N4O3/c1-3-37-25-17-26-24(28(31(41)36-2)29(42-26)19-10-12-22(33)13-11-19)16-23(25)20-7-6-8-21(15-20)30(40)39-18-32(34,35)27-9-4-5-14-38-27/h4-17,37H,3,18H2,1-2H3,(H,36,41)(H,39,40)
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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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300774
PNG
(US10131645, Compound 1005)
Show SMILES CCNc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C(=O)OC)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C30H27F4N3O5/c1-5-36-22-15-23-21(24(27(39)35-3)25(42-23)16-9-11-19(31)12-10-16)14-20(22)17-7-6-8-18(13-17)26(38)37-29(2,28(40)41-4)30(32,33)34/h6-15,36H,5H2,1-4H3,(H,35,39)(H,37,38)
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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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300776
PNG
(US10131645, Compound 1007)
Show SMILES CCNc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C#N)C(=O)NC)-c1ccc(F)cc1
Show InChI InChI=1S/C29H26FN5O4/c1-4-34-22-14-24-21(25(29(38)33-3)26(39-24)16-8-10-19(30)11-9-16)13-20(22)17-6-5-7-18(12-17)27(36)35-23(15-31)28(37)32-2/h5-14,23,34H,4H2,1-3H3,(H,32,37)(H,33,38)(H,35,36)
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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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300780
PNG
(US10131645, Compound 1011)
Show SMILES CCNc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C1CC1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C30H27F4N3O3/c1-3-36-23-15-24-22(25(29(39)35-2)26(40-24)16-9-11-20(31)12-10-16)14-21(23)18-5-4-6-19(13-18)28(38)37-27(17-7-8-17)30(32,33)34/h4-6,9-15,17,27,36H,3,7-8H2,1-2H3,(H,35,39)(H,37,38)
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n/an/an/an/a 12.8n/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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300796
PNG
(US10131645, Compound 5002)
Show SMILES CNC(=O)c1c(oc2cc(N(CCCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)NC(c1ccccn1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C34H29F5N4O5S/c1-40-33(45)29-25-18-24(21-7-5-8-22(17-21)32(44)42-31(34(37,38)39)26-9-3-4-15-41-26)27(43(16-6-14-35)49(2,46)47)19-28(25)48-30(29)20-10-12-23(36)13-11-20/h3-5,7-13,15,17-19,31H,6,14,16H2,1-2H3,(H,40,45)(H,42,44)
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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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300797
PNG
(US10131645, Compound 5003)
Show SMILES CNC(=O)c1c(oc2cc(N(CCCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)NC(C)(C#N)C1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H32F2N4O5S/c1-33(19-36,23-10-11-23)38-31(40)22-7-4-6-21(16-22)25-17-26-28(18-27(25)39(15-5-14-34)45(3,42)43)44-30(29(26)32(41)37-2)20-8-12-24(35)13-9-20/h4,6-9,12-13,16-18,23H,5,10-11,14-15H2,1-3H3,(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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300781
PNG
(US10131645, Compound 1012)
Show SMILES CCNc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C(=O)OC)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C29H25F4N3O5/c1-4-35-21-14-22-20(23(27(38)34-2)24(41-22)15-8-10-18(30)11-9-15)13-19(21)16-6-5-7-17(12-16)26(37)36-25(28(39)40-3)29(31,32)33/h5-14,25,35H,4H2,1-3H3,(H,34,38)(H,36,37)
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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300786
PNG
(US10131645, Compound 2005)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C(=O)OC)C(F)(F)F)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C30H27F4N3O7S/c1-5-37(45(4,41)42)22-15-23-21(24(28(39)35-2)25(44-23)16-9-11-19(31)12-10-16)14-20(22)17-7-6-8-18(13-17)27(38)36-26(29(40)43-3)30(32,33)34/h6-15,26H,5H2,1-4H3,(H,35,39)(H,36,38)
PDB

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UniChem
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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300788
PNG
(US10131645, Compound 2007)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C(N)=O)c1ccccc1)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C34H31FN4O6S/c1-4-39(46(3,43)44)27-19-28-26(29(34(42)37-2)31(45-28)21-13-15-24(35)16-14-21)18-25(27)22-11-8-12-23(17-22)33(41)38-30(32(36)40)20-9-6-5-7-10-20/h5-19,30H,4H2,1-3H3,(H2,36,40)(H,37,42)(H,38,41)
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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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300799
PNG
(US10131645, Compound 6002)
Show SMILES CCN(CC)c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)N[C@@H](CO)C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C30H31FN4O5/c1-4-35(5-2)24-15-25-22(26(30(39)33-3)27(40-25)17-9-11-20(31)12-10-17)14-21(24)18-7-6-8-19(13-18)29(38)34-23(16-36)28(32)37/h6-15,23,36H,4-5,16H2,1-3H3,(H2,32,37)(H,33,39)(H,34,38)/t23-/m0/s1
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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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300773
PNG
(US10131645, Compound 1004)
Show SMILES CCNc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NCC(C)(C)c1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H33ClFN3O3/c1-5-39-29-19-30-28(31(34(42)38-4)32(43-30)21-9-15-26(37)16-10-21)18-27(29)22-7-6-8-23(17-22)33(41)40-20-35(2,3)24-11-13-25(36)14-12-24/h6-19,39H,5,20H2,1-4H3,(H,38,42)(H,40,41)
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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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300777
PNG
(US10131645, Compound 1008)
Show SMILES CCNc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C#N)C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C28H24FN5O4/c1-3-33-21-13-23-20(24(28(37)32-2)25(38-23)15-7-9-18(29)10-8-15)12-19(21)16-5-4-6-17(11-16)27(36)34-22(14-30)26(31)35/h4-13,22,33H,3H2,1-2H3,(H2,31,35)(H,32,37)(H,34,36)
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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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300792
PNG
(US10131645, Compound 4001)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)N[C@H](COC)C1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H33F2N3O6S/c1-35-32(39)29-25-16-24(21-5-4-6-22(15-21)31(38)36-26(18-42-2)19-7-8-19)27(37(14-13-33)44(3,40)41)17-28(25)43-30(29)20-9-11-23(34)12-10-20/h4-6,9-12,15-17,19,26H,7-8,13-14,18H2,1-3H3,(H,35,39)(H,36,38)/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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300795
PNG
(US10131645, Compound 5001)
Show SMILES CNC(=O)c1c(oc2cc(N(CCCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)NC(C1CC1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C32H30F5N3O5S/c1-38-31(42)27-24-16-23(20-5-3-6-21(15-20)30(41)39-29(19-7-8-19)32(35,36)37)25(40(14-4-13-33)46(2,43)44)17-26(24)45-28(27)18-9-11-22(34)12-10-18/h3,5-6,9-12,15-17,19,29H,4,7-8,13-14H2,1-2H3,(H,38,42)(H,39,41)
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n/an/an/an/a 22.9n/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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300802
PNG
(US10131645, Compound 7001)
Show SMILES CCN(C(=O)C(F)(F)F)c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C(=O)OC)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F7N3O6/c1-4-41(29(45)31(36,37)38)21-14-22-20(23(27(43)39-2)24(47-22)15-8-10-18(32)11-9-15)13-19(21)16-6-5-7-17(12-16)26(42)40-25(28(44)46-3)30(33,34)35/h5-14,25H,4H2,1-3H3,(H,39,43)(H,40,42)
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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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300770
PNG
(US10131645, Compound 1001)
Show SMILES CCNc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NCC(F)(F)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H28F3N3O3/c1-3-38-27-18-28-26(29(32(41)37-2)30(42-28)20-12-14-24(34)15-13-20)17-25(27)21-8-7-9-22(16-21)31(40)39-19-33(35,36)23-10-5-4-6-11-23/h4-18,38H,3,19H2,1-2H3,(H,37,41)(H,39,40)
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n/an/an/an/a 48.6n/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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300779
PNG
(US10131645, Compound 1010)
Show SMILES CCNc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C#N)C1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H29FN4O3/c1-4-35-25-16-26-24(27(30(38)34-3)28(39-26)18-8-12-22(32)13-9-18)15-23(25)19-6-5-7-20(14-19)29(37)36-31(2,17-33)21-10-11-21/h5-9,12-16,21,35H,4,10-11H2,1-3H3,(H,34,38)(H,36,37)
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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300785
PNG
(US10131645, Compound 2004)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(c1cccnc1)C(F)(F)F)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C33H28F4N4O5S/c1-4-41(47(3,44)45)26-17-27-25(28(32(43)38-2)29(46-27)19-10-12-23(34)13-11-19)16-24(26)20-7-5-8-21(15-20)31(42)40-30(33(35,36)37)22-9-6-14-39-18-22/h5-18,30H,4H2,1-3H3,(H,38,43)(H,40,42)
PDB

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n/an/an/an/a 9.60n/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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300787
PNG
(US10131645, Compound 2006)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C#N)c1ccccc1)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C34H29FN4O5S/c1-4-39(45(3,42)43)29-19-30-27(31(34(41)37-2)32(44-30)22-13-15-25(35)16-14-22)18-26(29)23-11-8-12-24(17-23)33(40)38-28(20-36)21-9-6-5-7-10-21/h5-19,28H,4H2,1-3H3,(H,37,41)(H,38,40)
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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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300789
PNG
(US10131645, Compound 2008)
Show SMILES CCOc1cc(ccc1OC(C)C)C(NC(=O)c1cccc(c1)-c1cc2c(C(=O)NC)c(oc2cc1N(CC)S(C)(=O)=O)-c1ccc(F)cc1)C#N
Show InChI InChI=1S/C39H39FN4O7S/c1-7-44(52(6,47)48)32-21-34-30(36(39(46)42-5)37(51-34)24-12-15-28(40)16-13-24)20-29(32)25-10-9-11-27(18-25)38(45)43-31(22-41)26-14-17-33(50-23(3)4)35(19-26)49-8-2/h9-21,23,31H,7-8H2,1-6H3,(H,42,46)(H,43,45)
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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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300791
PNG
(US10131645, Compound 3001)
Show SMILES CNC(=O)c1c(oc2cc(N(CC3CC3)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)NC(C)(C#N)C1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H33FN4O5S/c1-34(19-36,24-11-12-24)38-32(40)23-6-4-5-22(15-23)26-16-27-29(17-28(26)39(45(3,42)43)18-20-7-8-20)44-31(30(27)33(41)37-2)21-9-13-25(35)14-10-21/h4-6,9-10,13-17,20,24H,7-8,11-12,18H2,1-3H3,(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 US10131645 (2018)

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


(Hepatitis C virus (HCV))
BDBM300782
PNG
(US10131645, Compound 2001)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(c1ccccc1)C(F)(F)F)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C34H29F4N3O5S/c1-4-41(47(3,44)45)27-19-28-26(29(33(43)39-2)30(46-28)20-13-15-24(35)16-14-20)18-25(27)22-11-8-12-23(17-22)32(42)40-31(34(36,37)38)21-9-6-5-7-10-21/h5-19,31H,4H2,1-3H3,(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 US10131645 (2018)

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