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Compile Data Set for Download or QSAR

Found 445 hits with Last Name = 'wang' and Initial = 'gz'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.0800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12676
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
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0.190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50218305
PNG
(3-chloro-N-((1S,2R)-2-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1[C@@H](Cc2ccccc12)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C30H23ClN4O3/c31-24-17-32-25-16-20(10-13-23(24)25)30(38)34-28-22-6-2-1-5-19(22)15-26(28)33-29(37)18-8-11-21(12-9-18)35-14-4-3-7-27(35)36/h1-14,16-17,26,28,32H,15H2,(H,33,37)(H,34,38)/t26-,28+/m1/s1
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0.210n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218298
PNG
(5-chloro-N-((1S,2R)-1-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C26H20ClN3O3S/c27-22-13-12-21(34-22)26(33)28-20-15-17-5-1-2-6-19(17)24(20)29-25(32)16-8-10-18(11-9-16)30-14-4-3-7-23(30)31/h1-14,20,24H,15H2,(H,28,33)(H,29,32)/t20-,24+/m1/s1
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0.270n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50244020
PNG
(4'-[1-({2-[Cyanomethyl-(3,4-dichloro-phenyl)-amino...)
Show SMILES CN(C(CN1CCCC1)c1ccc(cc1)-c1cccc(c1)C(N)=O)C(=O)CN(CC#N)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H31Cl2N5O2/c1-35(29(38)20-37(16-13-33)25-11-12-26(31)27(32)18-25)28(19-36-14-2-3-15-36)22-9-7-21(8-10-22)23-5-4-6-24(17-23)30(34)39/h4-12,17-18,28H,2-3,14-16,19-20H2,1H3,(H2,34,39)
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0.300n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human urotensin2 receptor


Bioorg Med Chem Lett 18: 3716-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218280
PNG
(5-chloro-N-((3R,4S)-1-(2-methoxyacetyl)-4-(4-(2-ox...)
Show SMILES COCC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C24H23ClN4O5S/c1-34-14-22(31)28-12-17(18(13-28)27-24(33)19-9-10-20(25)35-19)26-23(32)15-5-7-16(8-6-15)29-11-3-2-4-21(29)30/h2-11,17-18H,12-14H2,1H3,(H,26,32)(H,27,33)/t17-,18+/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218315
PNG
((3R,4S)-methyl 3-(2-chlorothiophene-5-carboxamido)...)
Show SMILES COC(=O)C1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O |w:4.3|
Show InChI InChI=1S/C24H22ClN3O5S/c1-33-24(32)15-12-17(18(13-15)27-23(31)19-9-10-20(25)34-19)26-22(30)14-5-7-16(8-6-14)28-11-3-2-4-21(28)29/h2-11,15,17-18H,12-13H2,1H3,(H,26,30)(H,27,31)/t15?,17-,18+/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50377218
PNG
(CHEMBL257171)
Show SMILES Cc1cc2OCC(=O)N(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1C |w:17.18,16.25|
Show InChI InChI=1S/C28H35N3O3/c1-20-15-24-26(16-21(20)2)34-19-28(33)31(24)18-27(32)30-14-8-11-23(22-9-4-3-5-10-22)25(30)17-29-12-6-7-13-29/h3-5,9-10,15-16,23,25H,6-8,11-14,17-19H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50377220
PNG
(CHEMBL255509)
Show SMILES Clc1cc2OCC(=O)N(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1Cl |w:17.18,16.25|
Show InChI InChI=1S/C26H29Cl2N3O3/c27-20-13-22-24(14-21(20)28)34-17-26(33)31(22)16-25(32)30-12-6-9-19(18-7-2-1-3-8-18)23(30)15-29-10-4-5-11-29/h1-3,7-8,13-14,19,23H,4-6,9-12,15-17H2
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0.400n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216554
PNG
(5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BE...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C22H20ClN3O3S/c23-19-12-11-18(30-19)22(29)25-17-5-3-4-16(17)24-21(28)14-7-9-15(10-8-14)26-13-2-1-6-20(26)27/h1-2,6-13,16-17H,3-5H2,(H,24,28)(H,25,29)/t16-,17+/m0/s1
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0.430n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50216554
PNG
(5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BE...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C22H20ClN3O3S/c23-19-12-11-18(30-19)22(29)25-17-5-3-4-16(17)24-21(28)14-7-9-15(10-8-14)26-13-2-1-6-20(26)27/h1-2,6-13,16-17H,3-5H2,(H,24,28)(H,25,29)/t16-,17+/m0/s1
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0.430n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50216584
PNG
(3-chloro-N-((1R,2S)-2-(4-(1-(pyrrolidin-1-ylmethyl...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)C1(CN2CCCC2)CC1
Show InChI InChI=1S/C30H35ClN4O2/c31-24-18-32-27-17-21(9-12-23(24)27)29(37)34-26-6-2-1-5-25(26)33-28(36)20-7-10-22(11-8-20)30(13-14-30)19-35-15-3-4-16-35/h7-12,17-18,25-26,32H,1-6,13-16,19H2,(H,33,36)(H,34,37)/t25-,26+/m0/s1
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0.440n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218308
PNG
(5-chloro-N-((3R,4S)-1-(methylsulfonyl)-4-(4-(2-oxo...)
Show SMILES CS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C22H21ClN4O5S2/c1-34(31,32)26-12-16(17(13-26)25-22(30)18-9-10-19(23)33-18)24-21(29)14-5-7-15(8-6-14)27-11-3-2-4-20(27)28/h2-11,16-17H,12-13H2,1H3,(H,24,29)(H,25,30)/t16-,17+/m0/s1
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0.440n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218282
PNG
((3R,4S)-ethyl 3-(2-chlorothiophene-5-carboxamido)-...)
Show SMILES CCOC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C24H23ClN4O5S/c1-2-34-24(33)28-13-17(18(14-28)27-23(32)19-10-11-20(25)35-19)26-22(31)15-6-8-16(9-7-15)29-12-4-3-5-21(29)30/h3-12,17-18H,2,13-14H2,1H3,(H,26,31)(H,27,32)/t17-,18+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216572
PNG
(5-chloro-N-((1R,2S)-2-(4-(1-(pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)C1(CN2CCCC2)CC1
Show InChI InChI=1S/C25H30ClN3O2S/c26-22-11-10-21(32-22)24(31)28-20-5-3-4-19(20)27-23(30)17-6-8-18(9-7-17)25(12-13-25)16-29-14-1-2-15-29/h6-11,19-20H,1-5,12-16H2,(H,27,30)(H,28,31)/t19-,20+/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218312
PNG
((1S,3R,4S)-methyl 3-(2-chlorothiophene-5-carboxami...)
Show SMILES COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C24H22ClN3O5S/c1-33-24(32)15-12-17(18(13-15)27-23(31)19-9-10-20(25)34-19)26-22(30)14-5-7-16(8-6-14)28-11-3-2-4-21(28)29/h2-11,15,17-18H,12-13H2,1H3,(H,26,30)(H,27,31)/t15-,17-,18+/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218300
PNG
((3R,4S)-3-(2-chlorothiophene-5-carboxamido)-N,N-di...)
Show SMILES CN(C)C(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C24H24ClN5O4S/c1-28(2)24(34)29-13-17(18(14-29)27-23(33)19-10-11-20(25)35-19)26-22(32)15-6-8-16(9-7-15)30-12-4-3-5-21(30)31/h3-12,17-18H,13-14H2,1-2H3,(H,26,32)(H,27,33)/t17-,18+/m0/s1
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0.560n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218290
PNG
(5-chloro-N-((1R,2S,4S)-4-(hydroxymethyl)-2-(4-(2-o...)
Show SMILES OC[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H22ClN3O4S/c24-20-9-8-19(32-20)23(31)26-18-12-14(13-28)11-17(18)25-22(30)15-4-6-16(7-5-15)27-10-2-1-3-21(27)29/h1-10,14,17-18,28H,11-13H2,(H,25,30)(H,26,31)/t14-,17-,18+/m0/s1
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0.560n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218291
PNG
(CHEMBL394129 | N-((3R,4S)-1-acetyl-4-(4-(2-oxopyri...)
Show SMILES CC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H21ClN4O4S/c1-14(29)27-12-17(18(13-27)26-23(32)19-9-10-20(24)33-19)25-22(31)15-5-7-16(8-6-15)28-11-3-2-4-21(28)30/h2-11,17-18H,12-13H2,1H3,(H,25,31)(H,26,32)/t17-,18+/m0/s1
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0.580n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50377217
PNG
(CHEMBL256989)
Show SMILES Clc1cc2ncc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1Cl |w:17.18,16.25|
Show InChI InChI=1S/C26H28Cl2N4O2/c27-20-13-22-23(14-21(20)28)32(25(33)15-29-22)17-26(34)31-12-6-9-19(18-7-2-1-3-8-18)24(31)16-30-10-4-5-11-30/h1-3,7-8,13-15,19,24H,4-6,9-12,16-17H2
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0.600n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218283
PNG
(5-chloro-N-((3R,4S)-1-(ethylsulfonyl)-4-(4-(2-oxop...)
Show SMILES CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H23ClN4O5S2/c1-2-35(32,33)27-13-17(18(14-27)26-23(31)19-10-11-20(24)34-19)25-22(30)15-6-8-16(9-7-15)28-12-4-3-5-21(28)29/h3-12,17-18H,2,13-14H2,1H3,(H,25,30)(H,26,31)/t17-,18+/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216556
PNG
(3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)B...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1
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0.670n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50216604
PNG
(3-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C26H23ClN4O3/c27-20-15-28-23-14-17(9-12-19(20)23)26(34)30-22-5-3-4-21(22)29-25(33)16-7-10-18(11-8-16)31-13-2-1-6-24(31)32/h1-2,6-15,21-22,28H,3-5H2,(H,29,33)(H,30,34)/t21-,22+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216579
PNG
(CHEMBL401024 | cis-3-chloro-N-(2-(2-fluoro-4-(2-ox...)
Show SMILES Fc1cc(ccc1C(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)-n1ccccc1=O
Show InChI InChI=1S/C27H24ClFN4O3/c28-20-15-30-24-13-16(8-10-18(20)24)26(35)31-22-5-1-2-6-23(22)32-27(36)19-11-9-17(14-21(19)29)33-12-4-3-7-25(33)34/h3-4,7-15,22-23,30H,1-2,5-6H2,(H,31,35)(H,32,36)/t22-,23+/m1/s1
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0.710n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218282
PNG
((3R,4S)-ethyl 3-(2-chlorothiophene-5-carboxamido)-...)
Show SMILES CCOC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C24H23ClN4O5S/c1-2-34-24(33)28-13-17(18(14-28)27-23(32)19-10-11-20(25)35-19)26-22(31)15-6-8-16(9-7-15)29-12-4-3-5-21(29)30/h3-12,17-18H,2,13-14H2,1H3,(H,26,31)(H,27,32)/t17-,18+/m0/s1
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0.730n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a in presence of tripeptide substrate at 25 degC


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218306
PNG
((3R,4S)-methyl 3-(2-chlorothiophene-5-carboxamido)...)
Show SMILES COC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H21ClN4O5S/c1-33-23(32)27-12-16(17(13-27)26-22(31)18-9-10-19(24)34-18)25-21(30)14-5-7-15(8-6-14)28-11-3-2-4-20(28)29/h2-11,16-17H,12-13H2,1H3,(H,25,30)(H,26,31)/t16-,17+/m0/s1
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0.740n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218319
PNG
(3-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@H]1[C@H](Cc2ccccc12)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C30H23ClN4O3/c31-24-17-32-25-16-20(10-13-23(24)25)30(38)34-28-22-6-2-1-5-19(22)15-26(28)33-29(37)18-8-11-21(12-9-18)35-14-4-3-7-27(35)36/h1-14,16-17,26,28,32H,15H2,(H,33,37)(H,34,38)/t26-,28+/m0/s1
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0.840n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218294
PNG
((3R,4S)-2-methoxyethyl 3-(2-chlorothiophene-5-carb...)
Show SMILES COCCOC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C25H25ClN4O6S/c1-35-12-13-36-25(34)29-14-18(19(15-29)28-24(33)20-9-10-21(26)37-20)27-23(32)16-5-7-17(8-6-16)30-11-3-2-4-22(30)31/h2-11,18-19H,12-15H2,1H3,(H,27,32)(H,28,33)/t18-,19+/m0/s1
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0.930n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216583
PNG
(3-chloro-N-((1R,2S)-2-(4-(2-oxopyrazin-1(2H)-yl)be...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccncc1=O
Show InChI InChI=1S/C26H24ClN5O3/c27-20-14-29-23-13-17(7-10-19(20)23)26(35)31-22-4-2-1-3-21(22)30-25(34)16-5-8-18(9-6-16)32-12-11-28-15-24(32)33/h5-15,21-22,29H,1-4H2,(H,30,34)(H,31,35)/t21-,22+/m0/s1
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0.940n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216620
PNG
(5-chloro-N-((1R,2S)-2-(4-(1-(pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)C1(CN2CCCC2)CC1
Show InChI InChI=1S/C26H32ClN3O2S/c27-23-12-11-22(33-23)25(32)29-21-6-2-1-5-20(21)28-24(31)18-7-9-19(10-8-18)26(13-14-26)17-30-15-3-4-16-30/h7-12,20-21H,1-6,13-17H2,(H,28,31)(H,29,32)/t20-,21+/m0/s1
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0.950n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50377215
PNG
(CHEMBL257415)
Show SMILES Cc1cc2ncc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1C |w:17.18,16.25|
Show InChI InChI=1S/C28H34N4O2/c1-20-15-24-25(16-21(20)2)32(27(33)17-29-24)19-28(34)31-14-8-11-23(22-9-4-3-5-10-22)26(31)18-30-12-6-7-13-30/h3-5,9-10,15-17,23,26H,6-8,11-14,18-19H2,1-2H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218301
PNG
(3-chloro-N-((1S,2R)-1-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C30H23ClN4O3/c31-24-17-32-25-16-20(10-13-23(24)25)30(38)33-26-15-19-5-1-2-6-22(19)28(26)34-29(37)18-8-11-21(12-9-18)35-14-4-3-7-27(35)36/h1-14,16-17,26,28,32H,15H2,(H,33,38)(H,34,37)/t26-,28+/m1/s1
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216604
PNG
(3-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C26H23ClN4O3/c27-20-15-28-23-14-17(9-12-19(20)23)26(34)30-22-5-3-4-21(22)29-25(33)16-7-10-18(11-8-16)31-13-2-1-6-24(31)32/h1-2,6-15,21-22,28H,3-5H2,(H,29,33)(H,30,34)/t21-,22+/m0/s1
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216598
PNG
(3-chloro-N-((1S,2R)-2-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m1/s1
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216566
PNG
(5-chloro-N-((1R,2S)-2-(4-(2-oxopyrazin-1(2H)-yl)be...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccncc1=O
Show InChI InChI=1S/C21H19ClN4O3S/c22-18-9-8-17(30-18)21(29)25-16-3-1-2-15(16)24-20(28)13-4-6-14(7-5-13)26-11-10-23-12-19(26)27/h4-12,15-16H,1-3H2,(H,24,28)(H,25,29)/t15-,16+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218286
PNG
((3R,4S)-3-(2-chlorothiophene-5-carboxamido)-N-meth...)
Show SMILES CNC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H22ClN5O4S/c1-25-23(33)28-12-16(17(13-28)27-22(32)18-9-10-19(24)34-18)26-21(31)14-5-7-15(8-6-14)29-11-3-2-4-20(29)30/h2-11,16-17H,12-13H2,1H3,(H,25,33)(H,26,31)(H,27,32)/t16-,17+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50377227
PNG
(CHEMBL255462)
Show SMILES Clc1ccc2sc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2c1 |w:16.25,17.18|
Show InChI InChI=1S/C25H28ClN3O2S/c26-19-10-11-23-21(15-19)29(25(31)32-23)17-24(30)28-14-6-9-20(18-7-2-1-3-8-18)22(28)16-27-12-4-5-13-27/h1-3,7-8,10-11,15,20,22H,4-6,9,12-14,16-17H2
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1.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216606
PNG
(3-chloro-N-(2-methyl-1-(4-(2-oxopyridin-1(2H)-yl)b...)
Show SMILES CC(C)(CNC(=O)c1ccc(cc1)-n1ccccc1=O)NC(=O)c1ccc2c(Cl)c[nH]c2c1
Show InChI InChI=1S/C25H23ClN4O3/c1-25(2,29-24(33)17-8-11-19-20(26)14-27-21(19)13-17)15-28-23(32)16-6-9-18(10-7-16)30-12-4-3-5-22(30)31/h3-14,27H,15H2,1-2H3,(H,28,32)(H,29,33)
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1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218295
PNG
(5-chloro-N-((3R,4S)-1-isobutyryl-4-(4-(2-oxopyridi...)
Show SMILES CC(C)C(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C25H25ClN4O4S/c1-15(2)25(34)29-13-18(19(14-29)28-24(33)20-10-11-21(26)35-20)27-23(32)16-6-8-17(9-7-16)30-12-4-3-5-22(30)31/h3-12,15,18-19H,13-14H2,1-2H3,(H,27,32)(H,28,33)/t18-,19+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216576
PNG
(CHEMBL231940 | cis-N-(2-(4-(2-oxopyridin-1(2H)-yl)...)
Show SMILES Clc1c[nH]c2cc(ccc12)C(=O)N[C@@H]1CCCC[C@@H]1NCc1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C27H27ClN4O2/c28-22-17-30-25-15-19(10-13-21(22)25)27(34)31-24-6-2-1-5-23(24)29-16-18-8-11-20(12-9-18)32-14-4-3-7-26(32)33/h3-4,7-15,17,23-24,29-30H,1-2,5-6,16H2,(H,31,34)/t23-,24+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216557
PNG
(5-chloro-N-((1R,2S)-2-(4-(2-oxopiperidin-1-yl)benz...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C22H24ClN3O3S/c23-19-12-11-18(30-19)22(29)25-17-5-3-4-16(17)24-21(28)14-7-9-15(10-8-14)26-13-2-1-6-20(26)27/h7-12,16-17H,1-6,13H2,(H,24,28)(H,25,29)/t16-,17+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216562
PNG
(5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)...)
Show SMILES Clc1ccc(s1)C(=O)NCCNC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C19H16ClN3O3S/c20-16-9-8-15(27-16)19(26)22-11-10-21-18(25)13-4-6-14(7-5-13)23-12-2-1-3-17(23)24/h1-9,12H,10-11H2,(H,21,25)(H,22,26)
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1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50218284
PNG
(5-chloro-N-((1R,2S,4S)-4-(cyclopropylcarbamoyl)-2-...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1C[C@H](C[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O)C(=O)NC1CC1
Show InChI InChI=1S/C26H25ClN4O4S/c27-22-11-10-21(36-22)26(35)30-20-14-16(25(34)28-17-6-7-17)13-19(20)29-24(33)15-4-8-18(9-5-15)31-12-2-1-3-23(31)32/h1-5,8-12,16-17,19-20H,6-7,13-14H2,(H,28,34)(H,29,33)(H,30,35)/t16-,19-,20+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218314
PNG
(5-chloro-N-((1R,2S,4S)-4-(morpholine-4-carbonyl)-2...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1C[C@H](C[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H27ClN4O5S/c28-23-9-8-22(38-23)26(35)30-21-16-18(27(36)31-11-13-37-14-12-31)15-20(21)29-25(34)17-4-6-19(7-5-17)32-10-2-1-3-24(32)33/h1-10,18,20-21H,11-16H2,(H,29,34)(H,30,35)/t18-,20-,21+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218281
PNG
(5-chloro-N-((3R,4S)-4-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C26H27ClN4O4S/c1-26(2,3)25(35)30-14-18(19(15-30)29-24(34)20-11-12-21(27)36-20)28-23(33)16-7-9-17(10-8-16)31-13-5-4-6-22(31)32/h4-13,18-19H,14-15H2,1-3H3,(H,28,33)(H,29,34)/t18-,19+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218296
PNG
(5-chloro-N-((3R,4S)-4-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1CN(C[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O)C(=O)N1CCCC1
Show InChI InChI=1S/C26H26ClN5O4S/c27-22-11-10-21(37-22)25(35)29-20-16-31(26(36)30-12-3-4-13-30)15-19(20)28-24(34)17-6-8-18(9-7-17)32-14-2-1-5-23(32)33/h1-2,5-11,14,19-20H,3-4,12-13,15-16H2,(H,28,34)(H,29,35)/t19-,20+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218304
PNG
(5-chloro-N-((3R,4S)-1-(isopropylsulfonyl)-4-(4-(2-...)
Show SMILES CC(C)S(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C24H25ClN4O5S2/c1-15(2)36(33,34)28-13-18(19(14-28)27-24(32)20-10-11-21(25)35-20)26-23(31)16-6-8-17(9-7-16)29-12-4-3-5-22(29)30/h3-12,15,18-19H,13-14H2,1-2H3,(H,26,31)(H,27,32)/t18-,19+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216594
PNG
(5-chloro-N-(1-(4-(2-oxopyridin-1(2H)-yl)benzamido)...)
Show SMILES CC(CNC(=O)c1ccc(cc1)-n1ccccc1=O)NC(=O)c1ccc(Cl)s1 |w:1.0|
Show InChI InChI=1S/C20H18ClN3O3S/c1-13(23-20(27)16-9-10-17(21)28-16)12-22-19(26)14-5-7-15(8-6-14)24-11-3-2-4-18(24)25/h2-11,13H,12H2,1H3,(H,22,26)(H,23,27)
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50216578
PNG
(5-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-yl)be...)
Show SMILES Clc1ccc(s1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H22ClN3O3S/c24-20-13-12-19(31-20)23(30)26-18-6-2-1-5-17(18)25-22(29)15-8-10-16(11-9-15)27-14-4-3-7-21(27)28/h3-4,7-14,17-18H,1-2,5-6H2,(H,25,29)(H,26,30)/t17-,18+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50218287
PNG
((1S,3R,4S)-3-(2-chlorothiophene-5-carboxamido)-4-(...)
Show SMILES OC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C23H20ClN3O5S/c24-19-9-8-18(33-19)22(30)26-17-12-14(23(31)32)11-16(17)25-21(29)13-4-6-15(7-5-13)27-10-2-1-3-20(27)28/h1-10,14,16-17H,11-12H2,(H,25,29)(H,26,30)(H,31,32)/t14-,16-,17+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 5041-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.020
BindingDB Entry DOI: 10.7270/Q23J3CPQ
More data for this
Ligand-Target Pair
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