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Compile Data Set for Download or QSAR

Found 304 hits with Last Name = 'eastman' and Initial = 'kj'   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50123490
PNG
(CHEMBL143418 | N-(6-Amino-2-methyl-pyridin-3-ylmet...)
Show SMILES Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ccc(N)nc1C
Show InChI InChI=1S/C21H23F2N7O2/c1-13-9-27-19(28-12-21(22,23)16-5-3-4-8-25-16)20(32)30(13)11-18(31)26-10-15-6-7-17(24)29-14(15)2/h3-9H,10-12H2,1-2H3,(H2,24,29)(H,26,31)(H,27,28)
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0.0420n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Thrombin (unknown origin)


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50123504
PNG
(CHEMBL142546 | N-((6-amino-2-methylpyridin-3-yl)me...)
Show SMILES Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1C
Show InChI InChI=1S/C22H24F2N6O2/c1-14-10-27-20(28-13-22(23,24)17-6-4-3-5-7-17)21(32)30(14)12-19(31)26-11-16-8-9-18(25)29-15(16)2/h3-10H,11-13H2,1-2H3,(H2,25,29)(H,26,31)(H,27,28)
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0.100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Thrombin (unknown origin)


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50123496
PNG
(CHEMBL143138 | N-(6-Amino-2-methyl-pyridin-3-ylmet...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O
Show InChI InChI=1S/C21H25N7O2/c1-14-11-26-20(24-10-8-17-5-3-4-9-23-17)21(30)28(14)13-19(29)25-12-16-6-7-18(22)27-15(16)2/h3-7,9,11H,8,10,12-13H2,1-2H3,(H2,22,27)(H,24,26)(H,25,29)
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0.270n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Thrombin (unknown origin)


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50067797
PNG
(CHEMBL19080 | L-37378 | N-(6-Amino-2-methyl-pyridi...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O
Show InChI InChI=1S/C22H26N6O2/c1-15-12-26-21(24-11-10-17-6-4-3-5-7-17)22(30)28(15)14-20(29)25-13-18-8-9-19(23)27-16(18)2/h3-9,12H,10-11,13-14H2,1-2H3,(H2,23,27)(H,24,26)(H,25,29)
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0.800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Thrombin (unknown origin)


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50123500
PNG
(CHEMBL143139 | N-(6-Amino-2-methyl-pyridin-3-ylmet...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(C)(C)c2ccccc2)c1=O
Show InChI InChI=1S/C24H30N6O2/c1-16-12-27-22(28-15-24(3,4)19-8-6-5-7-9-19)23(32)30(16)14-21(31)26-13-18-10-11-20(25)29-17(18)2/h5-12H,13-15H2,1-4H3,(H2,25,29)(H,26,31)(H,27,28)
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Thrombin (unknown origin)


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50130216
PNG
(CHEMBL3632874)
Show SMILES [H][C@]12C3CCCN3[C@@H](c3ccc(cc3)C(N)=N)[C@@]1([H])C(=O)N(Cc1ccc(F)cc1)[C@@H]2C(C)C |r|
Show InChI InChI=1/C26H31FN4O/c1-15(2)23-21-20-4-3-13-30(20)24(17-7-9-18(10-8-17)25(28)29)22(21)26(32)31(23)14-16-5-11-19(27)12-6-16/h5-12,15,20-24H,3-4,13-14H2,1-2H3,(H3,28,29)/t20?,21-,22-,23+,24-/s2
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Thrombin using S-2238 as substrate assessed as release of p-nitroaniline preincubated for 240 secs followed by substrate addition...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50130256
PNG
(CHEMBL3632875)
Show SMILES [H][C@]12C3CCCN3[C@@H](c3ccc(cc3)C(N)=N)[C@@]1([H])C(=O)N(Cc1ccc(Cl)cc1)[C@@H]2C(C)C |r|
Show InChI InChI=1/C26H31ClN4O/c1-15(2)23-21-20-4-3-13-30(20)24(17-7-9-18(10-8-17)25(28)29)22(21)26(32)31(23)14-16-5-11-19(27)12-6-16/h5-12,15,20-24H,3-4,13-14H2,1-2H3,(H3,28,29)/t20?,21-,22-,23+,24-/s2
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Thrombin using S-2238 as substrate assessed as release of p-nitroaniline preincubated for 240 secs followed by substrate addition...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50130307
PNG
(CHEMBL3633035)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(c1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C23H15Cl3F5N3OS/c1-13-21(23(35)32-18-3-2-4-20(12-18)36(27,28,29,30)31)33-34(19-10-16(25)9-17(26)11-19)22(13)14-5-7-15(24)8-6-14/h2-12H,1H3,(H,32,35)
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse brain membrane CB1 receptor after 60 mins by liquid scintillation counting analysis


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50130296
PNG
(CHEMBL3632876)
Show SMILES [H][C@]12C3CCCN3[C@@H](c3ccc(cc3)C(N)=N)[C@@]1([H])C(=O)N(Cc1ccc(OC)cc1)[C@@H]2C(C)C |r|
Show InChI InChI=1/C27H34N4O2/c1-16(2)24-22-21-5-4-14-30(21)25(18-8-10-19(11-9-18)26(28)29)23(22)27(32)31(24)15-17-6-12-20(33-3)13-7-17/h6-13,16,21-25H,4-5,14-15H2,1-3H3,(H3,28,29)/t21?,22-,23-,24+,25-/s2
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Thrombin using S-2238 as substrate assessed as release of p-nitroaniline preincubated for 240 secs followed by substrate addition...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50400862
PNG
(CHEMBL2205015)
Show SMILES COc1cc(cc(OC)c1OC)C(F)(F)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1ccccc1)CCCc1cccnc1 |r|
Show InChI InChI=1S/C35H42F2N2O6/c1-42-30-22-27(23-31(43-2)32(30)44-3)35(36,37)34(41)39-21-8-7-19-29(39)33(40)45-28(17-9-14-25-12-5-4-6-13-25)18-10-15-26-16-11-20-38-24-26/h4-6,11-13,16,20,22-24,28-29H,7-10,14-15,17-19,21H2,1-3H3/t28?,29-/m0/s1
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19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FKBP12 (unknown origin)-mediated rotamase activity by spectrophotometric analysis


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50130306
PNG
(CHEMBL3633034)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H15Cl3F3N3O/c1-13-21(23(34)31-19-4-2-3-15(9-19)24(28,29)30)32-33(20-11-17(26)10-18(27)12-20)22(13)14-5-7-16(25)8-6-14/h2-12H,1H3,(H,31,34)
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27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse brain membrane CB1 receptor after 60 mins by liquid scintillation counting analysis


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50130213
PNG
(CHEMBL3632871)
Show SMILES Cl.[H][C@]12C3CCCN3[C@@H](c3ccc(cc3)C(N)=N)[C@@]1([H])C(=O)N(Cc1ccc(F)cc1)C2=O |r|
Show InChI InChI=1/C23H23FN4O2.ClH/c24-16-9-3-13(4-10-16)12-28-22(29)18-17-2-1-11-27(17)20(19(18)23(28)30)14-5-7-15(8-6-14)21(25)26;/h3-10,17-20H,1-2,11-12H2,(H3,25,26);1H/t17?,18-,19-,20-;/s2
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57n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Thrombin using H-D-Phe-Pip-Arg-paranitroanilide/methylsulfonyl-D-Leu-Gly-Arg-paranitroanilide as substrate by spectrophotometric ...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50130215
PNG
(CHEMBL3632873)
Show SMILES [H][C@]12C3CCCN3[C@@H](c3ccc(cc3)C(N)=N)[C@@]1([H])C(=O)N(Cc1ccccc1)[C@@H]2C(C)C |r|
Show InChI InChI=1/C26H32N4O/c1-16(2)23-21-20-9-6-14-29(20)24(18-10-12-19(13-11-18)25(27)28)22(21)26(31)30(23)15-17-7-4-3-5-8-17/h3-5,7-8,10-13,16,20-24H,6,9,14-15H2,1-2H3,(H3,27,28)/t20?,21-,22-,23+,24-/s2
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65n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Thrombin using S-2238 as substrate assessed as release of p-nitroaniline preincubated for 240 secs followed by substrate addition...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50130211
PNG
(CHEMBL3632869)
Show SMILES Cl.[H][C@]12C3CCCN3[C@@H](c3ccc(cc3)C(N)=N)[C@@]1([H])C(=O)N(Cc1ccccc1)C2=O |r|
Show InChI InChI=1/C23H24N4O2.ClH/c24-21(25)16-10-8-15(9-11-16)20-19-18(17-7-4-12-26(17)20)22(28)27(23(19)29)13-14-5-2-1-3-6-14;/h1-3,5-6,8-11,17-20H,4,7,12-13H2,(H3,24,25);1H/t17?,18-,19-,20-;/s2
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270n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Thrombin using H-D-Phe-Pip-Arg-paranitroanilide/methylsulfonyl-D-Leu-Gly-Arg-paranitroanilide as substrate by spectrophotometric ...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50130212
PNG
(CHEMBL3632870)
Show SMILES Cl.[H][C@]12C3CCCN3[C@@H](c3ccc(cc3)C(N)=N)[C@@]1([H])C(=O)N(Cc1cccc(F)c1)C2=O |r|
Show InChI InChI=1/C23H23FN4O2.ClH/c24-16-4-1-3-13(11-16)12-28-22(29)18-17-5-2-10-27(17)20(19(18)23(28)30)14-6-8-15(9-7-14)21(25)26;/h1,3-4,6-9,11,17-20H,2,5,10,12H2,(H3,25,26);1H/t17?,18-,19-,20-;/s2
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360n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Thrombin using H-D-Phe-Pip-Arg-paranitroanilide/methylsulfonyl-D-Leu-Gly-Arg-paranitroanilide as substrate by spectrophotometric ...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50130214
PNG
(CHEMBL3632872)
Show SMILES Cl.[H][C@]12C3CCCN3[C@@H](c3ccc(cc3)C(N)=N)[C@@]1([H])C(=O)N(Cc1cc(F)cc(F)c1)C2=O |r|
Show InChI InChI=1/C23H22F2N4O2.ClH/c24-15-8-12(9-16(25)10-15)11-29-22(30)18-17-2-1-7-28(17)20(19(18)23(29)31)13-3-5-14(6-4-13)21(26)27;/h3-6,8-10,17-20H,1-2,7,11H2,(H3,26,27);1H/t17?,18-,19-,20-;/s2
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590n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Thrombin using H-D-Phe-Pip-Arg-paranitroanilide/methylsulfonyl-D-Leu-Gly-Arg-paranitroanilide as substrate by spectrophotometric ...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50130309
PNG
(CHEMBL3633037)
Show SMILES [Cl-].C[N+](C)(CCCNc1cc(F)ccc1Nc1ccc(cc1)C(F)(F)F)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2F4N3.ClH/c1-34(2,16-17-4-7-19(26)14-22(17)27)13-3-12-32-24-15-20(28)8-11-23(24)33-21-9-5-18(6-10-21)25(29,30)31;/h4-11,14-15,32-33H,3,12-13,16H2,1-2H3;1H/q+1;/p-1
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2.40E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Trypanosoma cruzi Trypanothione reductase by photometric assay


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50130310
PNG
(CHEMBL3633038)
Show SMILES [Cl-].C[N+](C)(CCCNc1cc(F)ccc1Nc1ccc(cc1)S(F)(F)(F)(F)F)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H26Cl2F6N3S.ClH/c1-35(2,16-17-4-5-18(25)14-22(17)26)13-3-12-33-24-15-19(27)6-11-23(24)34-20-7-9-21(10-8-20)36(28,29,30,31)32;/h4-11,14-15,33-34H,3,12-13,16H2,1-2H3;1H/q+1;/p-1
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2.80E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Trypanosoma cruzi Trypanothione reductase by photometric assay


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50130308
PNG
(CHEMBL3633036)
Show SMILES [Cl-].CC(C)(C)c1ccc(Nc2ccc(F)cc2NCCC[N+](C)(C)Cc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C28H35Cl2FN3.ClH/c1-28(2,3)21-8-12-24(13-9-21)33-26-14-11-23(31)18-27(26)32-15-6-16-34(4,5)19-20-7-10-22(29)17-25(20)30;/h7-14,17-18,32-33H,6,15-16,19H2,1-5H3;1H/q+1;/p-1
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8.40E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Trypanosoma cruzi Trypanothione reductase by photometric assay


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Sus scrofa)
BDBM50082127
PNG
(3-(ammoniomethyl)-2,6-difluorobenzenolate | 3-Amin...)
Show SMILES [NH3+]Cc1ccc(F)c([O-])c1F
Show InChI InChI=1S/C7H7F2NO/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2,11H,3,10H2
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6.30E+6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Competitive inhibition of pig brain GABA aminotransferase by Dixon/Cornish-Bowden plot analysis in presence of GABA


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Sus scrofa)
BDBM50073151
PNG
(4-(ammoniomethyl)-2,6-difluorobenzenolate | 4-Amin...)
Show SMILES NCc1cc(F)c(O)c(F)c1
Show InChI InChI=1S/C7H7F2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H,3,10H2
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1.10E+7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Competitive inhibition of pig brain GABA aminotransferase by Dixon/Cornish-Bowden plot analysis in presence of GABA


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060440
PNG
(3-[3-(4-Benzyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H28N6/c1-2-5-20(6-3-1)17-29-13-11-28(12-14-29)10-4-7-21-16-25-24-9-8-22(15-23(21)24)30-18-26-27-19-30/h1-3,5-6,8-9,15-16,18-19,25H,4,7,10-14,17H2
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n/an/a 0.140n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5HT-1D receptor expressed in CHO cells


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50065419
PNG
(3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H29N5/c1-2-5-20(6-3-1)15-21-10-13-29(14-11-21)12-4-7-22-17-26-25-9-8-23(16-24(22)25)30-18-27-28-19-30/h1-3,5-6,8-9,16-19,21,26H,4,7,10-15H2
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5HT-1D receptor expressed in CHO cells


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50130304
PNG
(CHEMBL3632865)
Show SMILES CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1/C11H18FN3O/c1-3-7(2)10(14)11(16)15-6-8(12)4-9(15)5-13/h7-10H,3-4,6,14H2,1-2H3/t7-,8+,9+,10+/s2
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP-4 using Gly-Pro-4-methylcoumaryl-7-amide as substrate assessed as formation of 7-amino-4-methylcoumarin after 2 hrs by...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50130302
PNG
(CHEMBL3632867)
Show SMILES CC[C@@H](C)[C@H](N)C(=O)N1CC(F)(F)C[C@H]1C#N |r|
Show InChI InChI=1/C11H17F2N3O/c1-3-7(2)9(15)10(17)16-6-11(12,13)4-8(16)5-14/h7-9H,3-4,6,15H2,1-2H3/t7-,8+,9+/s2
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP-4 using Gly-Pro-4-methylcoumaryl-7-amide as substrate assessed as formation of 7-amino-4-methylcoumarin after 2 hrs by...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50065417
PNG
(3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...)
Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5HT-1D receptor expressed in CHO cells


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50130305
PNG
(CHEMBL3632864)
Show SMILES CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1/C11H19N3O/c1-3-8(2)10(13)11(15)14-6-4-5-9(14)7-12/h8-10H,3-6,13H2,1-2H3/t8-,9+,10+/s2
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n/an/a 1.5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP-4 using Gly-Pro-4-methylcoumaryl-7-amide as substrate assessed as formation of 7-amino-4-methylcoumarin after 2 hrs by...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM149222
PNG
(US8962651, 4)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC1(CCC1)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H25F4N5O4/c1-36-27(42)24-22-15-21(18-4-2-5-19(14-18)26(41)39-30(11-3-12-30)29-37-16-43-40-29)23(10-13-31(33,34)35)38-28(22)44-25(24)17-6-8-20(32)9-7-17/h2,4-9,14-16H,3,10-13H2,1H3,(H,36,42)(H,39,41)
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n/an/a 2.05n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...


US Patent US8962651 (2015)


BindingDB Entry DOI: 10.7270/Q23R0RM9
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM149221
PNG
(US8962651, 1)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H25F4N5O4/c1-29(2,28-36-15-42-39-28)38-25(40)18-6-4-5-17(13-18)20-14-21-23(26(41)35-3)24(16-7-9-19(31)10-8-16)43-27(21)37-22(20)11-12-30(32,33)34/h4-10,13-15H,11-12H2,1-3H3,(H,35,41)(H,38,40)
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n/an/a 2.32n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...


US Patent US8962651 (2015)


BindingDB Entry DOI: 10.7270/Q23R0RM9
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM47174
PNG
(US8962651, 17)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cnc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H26F4N6O5/c1-29(2,28-37-14-44-40-28)39-24(41)20-11-16(13-36-26(20)43-4)18-12-19-22(25(42)35-3)23(15-5-7-17(31)8-6-15)45-27(19)38-21(18)9-10-30(32,33)34/h5-8,11-14H,9-10H2,1-4H3,(H,35,42)(H,39,41)
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n/an/a 2.40n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...


US Patent US8962651 (2015)


BindingDB Entry DOI: 10.7270/Q23R0RM9
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM149225
PNG
(US8962651, 9)
Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1nc(C)no1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H27F4N5O4/c1-16-37-29(44-40-16)30(2,3)39-26(41)19-7-5-6-18(14-19)21-15-22-24(27(42)36-4)25(17-8-10-20(32)11-9-17)43-28(22)38-23(21)12-13-31(33,34)35/h5-11,14-15H,12-13H2,1-4H3,(H,36,42)(H,39,41)
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n/an/a 2.87n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...


US Patent US8962651 (2015)


BindingDB Entry DOI: 10.7270/Q23R0RM9
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM149227
PNG
(US8962651, 13)
Show SMILES CNC(=O)c1c(oc2nc(NCC(F)(F)F)c(cc12)-c1ccc(F)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H23F5N6O4/c1-28(2,27-37-13-43-40-27)39-24(41)18-10-15(6-9-20(18)31)17-11-19-21(25(42)35-3)22(14-4-7-16(30)8-5-14)44-26(19)38-23(17)36-12-29(32,33)34/h4-11,13H,12H2,1-3H3,(H,35,42)(H,36,38)(H,39,41)
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n/an/a 3.42n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...


US Patent US8962651 (2015)


BindingDB Entry DOI: 10.7270/Q23R0RM9
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM149223
PNG
(US8962651, 7)
Show SMILES CNC(=O)c1c(oc2nc(NCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1nc(C)no1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H26F4N6O4/c1-15-37-28(44-40-15)29(2,3)39-25(41)18-7-5-6-17(12-18)20-13-21-22(26(42)35-4)23(16-8-10-19(31)11-9-16)43-27(21)38-24(20)36-14-30(32,33)34/h5-13H,14H2,1-4H3,(H,35,42)(H,36,38)(H,39,41)
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n/an/a 4.13n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...


US Patent US8962651 (2015)


BindingDB Entry DOI: 10.7270/Q23R0RM9
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM149224
PNG
(US8962651, 8)
Show SMILES CNC(=O)c1c(oc2nc(NCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC1(CC1)c1nc(C)no1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H24F4N6O4/c1-15-37-28(44-40-15)29(10-11-29)39-25(41)18-5-3-4-17(12-18)20-13-21-22(26(42)35-2)23(16-6-8-19(31)9-7-16)43-27(21)38-24(20)36-14-30(32,33)34/h3-9,12-13H,10-11,14H2,1-2H3,(H,35,42)(H,36,38)(H,39,41)
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n/an/a 4.80n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...


US Patent US8962651 (2015)


BindingDB Entry DOI: 10.7270/Q23R0RM9
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM149226
PNG
(US8962651, 12)
Show SMILES CNC(=O)c1c(oc2nc(NCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H24F4N6O4/c1-28(2,27-36-14-42-39-27)38-24(40)17-6-4-5-16(11-17)19-12-20-21(25(41)34-3)22(15-7-9-18(30)10-8-15)43-26(20)37-23(19)35-13-29(31,32)33/h4-12,14H,13H2,1-3H3,(H,34,41)(H,35,37)(H,38,40)
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n/an/a 9.25n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...


US Patent US8962651 (2015)


BindingDB Entry DOI: 10.7270/Q23R0RM9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060440
PNG
(3-[3-(4-Benzyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H28N6/c1-2-5-20(6-3-1)17-29-13-11-28(12-14-29)10-4-7-21-16-25-24-9-8-22(15-23(21)24)30-18-26-27-19-30/h1-3,5-6,8-9,15-16,18-19,25H,4,7,10-14,17H2
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5HT-1B receptor expressed in CHO cells


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50065417
PNG
(3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...)
Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5HT-1B receptor expressed in CHO cells


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP-4 (unknown origin)


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50065419
PNG
(3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H29N5/c1-2-5-20(6-3-1)15-21-10-13-29(14-11-21)12-4-7-22-17-26-25-9-8-23(16-24(22)25)30-18-27-28-19-30/h1-3,5-6,8-9,16-19,21,26H,4,7,10-15H2
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5HT-1B receptor expressed in CHO cells


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM14497
PNG
(2-Pyridone 14b | N-[(4-carbamimidoylphenyl)methyl]...)
Show SMILES CC(C)Nc1ccc(-c2cc(N)cc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-14(2)30-20-7-8-21(17-9-18(25)11-19(26)10-17)31(24(20)33)13-22(32)29-12-15-3-5-16(6-4-15)23(27)28/h3-11,14,30H,12-13,25-26H2,1-2H3,(H3,27,28)(H,29,32)
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Tissue factor/factor 7a using N-methylsulfonyl-D-phe-gly-arg-p-nitroaniline as substrate assessed as release of p-nit...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50130314
PNG
(CHEMBL3633040)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)S(F)(F)(F)(F)F)cc(cc1OCCO)-c1ncccn1
Show InChI InChI=1S/C25H22F5N3O6S2/c1-37-21-5-2-3-6-22(21)39-24-20(15-17(16-23(24)38-14-13-34)25-31-11-4-12-32-25)33-40(35,36)18-7-9-19(10-8-18)41(26,27,28,29)30/h2-12,15-16,33-34H,13-14H2,1H3
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n/an/a 112n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human ETA receptor expressed in CHO cells assessed as inhibition of ET-1-induced Ca2+ efflux from endoplasmic reticulum into c...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50130311
PNG
(CHEMBL3633039)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc(cc1OCCO)-c1ncccn1
Show InChI InChI=1S/C26H22F3N3O6S/c1-36-21-5-2-3-6-22(21)38-24-20(32-39(34,35)19-9-7-18(8-10-19)26(27,28)29)15-17(16-23(24)37-14-13-33)25-30-11-4-12-31-25/h2-12,15-16,32-33H,13-14H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human ETA receptor expressed in CHO cells assessed as inhibition of ET-1-induced Ca2+ efflux from endoplasmic reticulum into c...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50094513
PNG
(1,1,1-Trifluoro-3-{(3-phenoxy-phenyl)-[3-(1,1,2,2-...)
Show SMILES OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CETP in buffer assessed as transfer of [3H]-cholesteryl ester from HDL donor particles to LDL acceptor particles


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50130303
PNG
(CHEMBL3632866)
Show SMILES CC[C@@H](C)[C@H](N)C(=O)N1C[C@H](F)C[C@H]1C#N |r|
Show InChI InChI=1/C11H18FN3O/c1-3-7(2)10(14)11(16)15-6-8(12)4-9(15)5-13/h7-10H,3-4,6,14H2,1-2H3/t7-,8-,9+,10+/s2
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n/an/a 290n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP-4 using Gly-Pro-4-methylcoumaryl-7-amide as substrate assessed as formation of 7-amino-4-methylcoumarin after 2 hrs by...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50130301
PNG
(CHEMBL3632877)
Show SMILES CC(C)Nc1ccc(-c2ccccc2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1F
Show InChI InChI=1S/C25H27FN4O/c1-16(2)30-22-13-12-20(18-6-4-3-5-7-18)21(24(22)26)14-23(31)29-15-17-8-10-19(11-9-17)25(27)28/h3-13,16,30H,14-15H2,1-2H3,(H3,27,28)(H,29,31)
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n/an/a 340n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Tissue factor/factor 7a using N-methylsulfonyl-D-phe-gly-arg-p-nitroaniline as substrate assessed as release of p-nit...


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50100997
PNG
(1,1,1-Trifluoro-3-[(3-furan-2-yl-benzyl)-(3-phenox...)
Show SMILES OC(CN(Cc1cccc(c1)-c1ccco1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Show InChI InChI=1S/C26H22F3NO3/c27-26(28,29)25(31)18-30(17-19-7-4-8-20(15-19)24-13-6-14-32-24)21-9-5-12-23(16-21)33-22-10-2-1-3-11-22/h1-16,25,31H,17-18H2
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n/an/a 480n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CETP in buffer assessed as transfer of [3H]-cholesteryl ester from HDL donor particles to LDL acceptor particles


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50101003
PNG
(3-((3-ethoxybenzyl)(3-phenoxyphenyl)amino)-1,1,1-t...)
Show SMILES CCOc1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1
Show InChI InChI=1S/C24H24F3NO3/c1-2-30-21-12-6-8-18(14-21)16-28(17-23(29)24(25,26)27)19-9-7-13-22(15-19)31-20-10-4-3-5-11-20/h3-15,23,29H,2,16-17H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CETP in buffer assessed as transfer of [3H]-cholesteryl ester from HDL donor particles to LDL acceptor particles


J Med Chem 58: 8315-59 (2015)


BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272519
PNG
(US10065953, Example 1)
Show SMILES Cc1cc2nc(cn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccccc1 |r|
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n/an/an/an/a 51n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent




US Patent US10065953 (2018)


BindingDB Entry DOI: 10.7270/Q2WD42KS
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272520
PNG
(US10065953, Example 2)
Show SMILES Cc1ccc(cc1)-c1cccc(c1)-c1cn2c(N3CCC(C)(C)CC3)c([C@H](OC(C)(C)C)C(O)=O)c(C)cc2n1 |r|
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n/an/an/an/a 32n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent




US Patent US10065953 (2018)


BindingDB Entry DOI: 10.7270/Q2WD42KS
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272521
PNG
(US10065953, Example 3)
Show SMILES Cc1cc2nc(cn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccc(F)cc1 |r|
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n/an/an/an/a 26n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent




US Patent US10065953 (2018)


BindingDB Entry DOI: 10.7270/Q2WD42KS
More data for this
Ligand-Target Pair
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