Found 48 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201268
(CHEMBL3919296)Show SMILES COC(=O)Nc1ccc(c(c1)[C@@H]1CCCN1C(=O)[C@H](Nc1ccc2c(N)nccc2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H39N5O7S/c1-20(2)47(42,43)30-13-10-24(38-34(41)46-5)19-26(30)27-7-6-16-39(27)33(40)31(22-8-12-28(44-3)29(18-22)45-4)37-23-9-11-25-21(17-23)14-15-36-32(25)35/h8-15,17-20,27,31,37H,6-7,16H2,1-5H3,(H2,35,36)(H,38,41)/t27-,31+/m0/s1 | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201515
(CHEMBL3946156)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(Cl)c[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H37ClN4O8S/c1-19(2)48(43,44)30-13-10-22(38-34(42)47-5)17-25(30)27-7-6-14-39(27)33(41)31(20-8-12-28(45-3)29(15-20)46-4)37-21-9-11-23-24(16-21)32(40)36-18-26(23)35/h8-13,15-19,27,31,37H,6-7,14H2,1-5H3,(H,36,40)(H,38,42)/t27-,31-/m1/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201267
(CHEMBL3935938)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(Br)c[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H37BrN4O8S/c1-19(2)48(43,44)30-13-10-22(38-34(42)47-5)17-25(30)27-7-6-14-39(27)33(41)31(20-8-12-28(45-3)29(15-20)46-4)37-21-9-11-23-24(16-21)32(40)36-18-26(23)35/h8-13,15-19,27,31,37H,6-7,14H2,1-5H3,(H,36,40)(H,38,42)/t27-,31-/m1/s1 | PDB
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| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201340
(CHEMBL3930498)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2nc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37N5O8S/c1-19(2)47(42,43)29-13-10-22(37-33(41)46-5)17-24(29)26-7-6-14-38(26)32(40)30(20-8-12-27(44-3)28(15-20)45-4)36-21-9-11-25-23(16-21)31(39)35-18-34-25/h8-13,15-19,26,30,36H,6-7,14H2,1-5H3,(H,37,41)(H,34,35,39)/t26-,30-/m1/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201416
(CHEMBL3977497)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(F)c[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H37FN4O8S/c1-19(2)48(43,44)30-13-10-22(38-34(42)47-5)17-25(30)27-7-6-14-39(27)33(41)31(20-8-12-28(45-3)29(15-20)46-4)37-21-9-11-23-24(16-21)32(40)36-18-26(23)35/h8-13,15-19,27,31,37H,6-7,14H2,1-5H3,(H,36,40)(H,38,42)/t27-,31-/m1/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201263
(CHEMBL3962367)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37FN4O8S/c1-18(2)47(42,43)29-11-9-21(36-33(41)46-5)15-23(29)26-7-6-12-38(26)32(40)30(19-8-10-27(44-3)28(14-19)45-4)37-25-16-22-20(13-24(25)34)17-35-31(22)39/h8-11,13-16,18,26,30,37H,6-7,12,17H2,1-5H3,(H,35,39)(H,36,41)/t26-,30-/m1/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201262
(CHEMBL3949343)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H38N4O8S/c1-20(2)47(42,43)30-13-11-24(37-34(41)46-5)19-26(30)27-7-6-16-38(27)33(40)31(22-9-12-28(44-3)29(17-22)45-4)36-23-10-8-21-14-15-35-32(39)25(21)18-23/h8-15,17-20,27,31,36H,6-7,16H2,1-5H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201415
(CHEMBL3969050)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2CNC(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H38N4O8S/c1-19(2)46(41,42)29-13-11-23(36-33(40)45-5)17-25(29)26-7-6-14-37(26)32(39)30(20-9-12-27(43-3)28(15-20)44-4)35-22-10-8-21-18-34-31(38)24(21)16-22/h8-13,15-17,19,26,30,35H,6-7,14,18H2,1-5H3,(H,34,38)(H,36,40)/t26-,30-/m1/s1 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201423
(CHEMBL3939482)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(c1)c(=O)[nH][nH]c2=O)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37N5O9S/c1-18(2)48(43,44)28-13-10-21(35-33(42)47-5)17-24(28)25-7-6-14-38(25)32(41)29(19-8-12-26(45-3)27(15-19)46-4)34-20-9-11-22-23(16-20)31(40)37-36-30(22)39/h8-13,15-18,25,29,34H,6-7,14H2,1-5H3,(H,35,42)(H,36,39)(H,37,40)/t25-,29-/m1/s1 | PDB
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| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201269
(CHEMBL3904281)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2C(C)NC(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H40N4O8S/c1-19(2)47(42,43)30-14-11-23(37-34(41)46-6)18-26(30)27-8-7-15-38(27)33(40)31(21-9-13-28(44-4)29(16-21)45-5)36-22-10-12-24-20(3)35-32(39)25(24)17-22/h9-14,16-20,27,31,36H,7-8,15H2,1-6H3,(H,35,39)(H,37,41)/t20?,27-,31-/m1/s1 | PDB
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| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201269
(CHEMBL3904281)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2C(C)NC(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H40N4O8S/c1-19(2)47(42,43)30-14-11-23(37-34(41)46-6)18-26(30)27-8-7-15-38(27)33(40)31(21-9-13-28(44-4)29(16-21)45-5)36-22-10-12-24-20(3)35-32(39)25(24)17-22/h9-14,16-20,27,31,36H,7-8,15H2,1-6H3,(H,35,39)(H,37,41)/t20?,27-,31-/m1/s1 | PDB
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| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201417
(CHEMBL3902535)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(C)c[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C35H40N4O8S/c1-20(2)48(43,44)31-14-11-24(38-35(42)47-6)18-27(31)28-8-7-15-39(28)34(41)32(22-9-13-29(45-4)30(16-22)46-5)37-23-10-12-25-21(3)19-36-33(40)26(25)17-23/h9-14,16-20,28,32,37H,7-8,15H2,1-6H3,(H,36,40)(H,38,42)/t28-,32-/m1/s1 | PDB
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| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50201268
(CHEMBL3919296)Show SMILES COC(=O)Nc1ccc(c(c1)[C@@H]1CCCN1C(=O)[C@H](Nc1ccc2c(N)nccc2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H39N5O7S/c1-20(2)47(42,43)30-13-10-24(38-34(41)46-5)19-26(30)27-7-6-16-39(27)33(40)31(22-8-12-28(44-3)29(18-22)45-4)37-23-9-11-25-21(17-23)14-15-36-32(25)35/h8-15,17-20,27,31,37H,6-7,16H2,1-5H3,(H2,35,36)(H,38,41)/t27-,31+/m0/s1 | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human tissue kallikrein using H-D-Val-Leu-Arg-AFC as substrate |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201270
(CHEMBL3948259)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2[nH][nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C32H37N5O8S/c1-18(2)46(41,42)28-13-10-21(34-32(40)45-5)17-23(28)25-7-6-14-37(25)31(39)29(19-8-12-26(43-3)27(15-19)44-4)33-20-9-11-24-22(16-20)30(38)36-35-24/h8-13,15-18,25,29,33H,6-7,14H2,1-5H3,(H,34,40)(H2,35,36,38)/t25-,29-/m1/s1 | PDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201535
(CHEMBL3944886)Show SMILES CCc1c[nH]c(=O)c2cc(N[C@@H](C(=O)N3CCC[C@@H]3c3cc(NC(=O)OC)ccc3S(=O)(=O)C(C)C)c3ccc(OC)c(OC)c3)ccc12 |r| Show InChI InChI=1S/C36H42N4O8S/c1-7-22-20-37-34(41)27-18-24(11-13-26(22)27)38-33(23-10-14-30(46-4)31(17-23)47-5)35(42)40-16-8-9-29(40)28-19-25(39-36(43)48-6)12-15-32(28)49(44,45)21(2)3/h10-15,17-21,29,33,38H,7-9,16H2,1-6H3,(H,37,41)(H,39,43)/t29-,33-/m1/s1 | PDB
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201420
(CHEMBL3940570)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2CCNC(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H40N4O8S/c1-20(2)47(42,43)30-13-11-24(37-34(41)46-5)19-26(30)27-7-6-16-38(27)33(40)31(22-9-12-28(44-3)29(17-22)45-4)36-23-10-8-21-14-15-35-32(39)25(21)18-23/h8-13,17-20,27,31,36H,6-7,14-16H2,1-5H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1 | PDB
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201265
(CHEMBL3947087)Show SMILES COC(=O)Nc1ccc(c(c1)[C@@H]1CCCN1C(=O)[C@H](Nc1cccc(c1)C(N)=O)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C32H38N4O8S/c1-19(2)45(40,41)28-14-12-23(35-32(39)44-5)18-24(28)25-10-7-15-36(25)31(38)29(20-11-13-26(42-3)27(17-20)43-4)34-22-9-6-8-21(16-22)30(33)37/h6,8-9,11-14,16-19,25,29,34H,7,10,15H2,1-5H3,(H2,33,37)(H,35,39)/t25-,29+/m0/s1 | PDB
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| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201419
(CHEMBL3953609)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2[C@H](C)CNC(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C35H42N4O8S/c1-20(2)48(43,44)31-14-11-24(38-35(42)47-6)18-27(31)28-8-7-15-39(28)34(41)32(22-9-13-29(45-4)30(16-22)46-5)37-23-10-12-25-21(3)19-36-33(40)26(25)17-23/h9-14,16-18,20-21,28,32,37H,7-8,15,19H2,1-6H3,(H,36,40)(H,38,42)/t21-,28-,32-/m1/s1 | PDB
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| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201536
(CHEMBL3900067)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2c(F)c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37FN4O8S/c1-18(2)47(42,43)29-11-9-20(37-33(41)46-5)14-23(29)26-7-6-12-38(26)32(40)30(19-8-10-27(44-3)28(13-19)45-4)36-21-15-22-24(25(34)16-21)17-35-31(22)39/h8-11,13-16,18,26,30,36H,6-7,12,17H2,1-5H3,(H,35,39)(H,37,41)/t26-,30-/m1/s1 | PDB
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| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201264
(CHEMBL3932284)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2C(=O)NC(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H36N4O9S/c1-18(2)47(42,43)28-13-10-21(35-33(41)46-5)17-24(28)25-7-6-14-37(25)32(40)29(19-8-12-26(44-3)27(15-19)45-4)34-20-9-11-22-23(16-20)31(39)36-30(22)38/h8-13,15-18,25,29,34H,6-7,14H2,1-5H3,(H,35,41)(H,36,38,39)/t25-,29-/m1/s1 | PDB
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| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201424
(CHEMBL3958001)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cn[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37N5O8S/c1-19(2)47(42,43)29-13-11-23(36-33(41)46-5)17-25(29)26-7-6-14-38(26)32(40)30(20-9-12-27(44-3)28(15-20)45-4)35-22-10-8-21-18-34-37-31(39)24(21)16-22/h8-13,15-19,26,30,35H,6-7,14H2,1-5H3,(H,36,41)(H,37,39)/t26-,30-/m1/s1 | PDB
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| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201422
(CHEMBL3938377)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2[C@@H](C)CNC(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C35H42N4O8S/c1-20(2)48(43,44)31-14-11-24(38-35(42)47-6)18-27(31)28-8-7-15-39(28)34(41)32(22-9-13-29(45-4)30(16-22)46-5)37-23-10-12-25-21(3)19-36-33(40)26(25)17-23/h9-14,16-18,20-21,28,32,37H,7-8,15,19H2,1-6H3,(H,36,40)(H,38,42)/t21-,28+,32+/m0/s1 | PDB
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| 982 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50201262
(CHEMBL3949343)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H38N4O8S/c1-20(2)47(42,43)30-13-11-24(37-34(41)46-5)19-26(30)27-7-6-16-38(27)33(40)31(22-9-12-28(44-3)29(17-22)45-4)36-23-10-8-21-14-15-35-32(39)25(21)18-23/h8-15,17-20,27,31,36H,6-7,16H2,1-5H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1 | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50201262
(CHEMBL3949343)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H38N4O8S/c1-20(2)47(42,43)30-13-11-24(37-34(41)46-5)19-26(30)27-7-6-16-38(27)33(40)31(22-9-12-28(44-3)29(17-22)45-4)36-23-10-8-21-14-15-35-32(39)25(21)18-23/h8-15,17-20,27,31,36H,6-7,16H2,1-5H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1 | PDB
MMDB
Reactome pathway
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor-9a |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50201262
(CHEMBL3949343)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H38N4O8S/c1-20(2)47(42,43)30-13-11-24(37-34(41)46-5)19-26(30)27-7-6-16-38(27)33(40)31(22-9-12-28(44-3)29(17-22)45-4)36-23-10-8-21-14-15-35-32(39)25(21)18-23/h8-15,17-20,27,31,36H,6-7,16H2,1-5H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1 | PDB
MMDB
Reactome pathway
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human activated protein C |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50201263
(CHEMBL3962367)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37FN4O8S/c1-18(2)47(42,43)29-11-9-21(36-33(41)46-5)15-23(29)26-7-6-12-38(26)32(40)30(19-8-10-27(44-3)28(14-19)45-4)37-25-16-22-20(13-24(25)34)17-35-31(22)39/h8-11,13-16,18,26,30,37H,6-7,12,17H2,1-5H3,(H,35,39)(H,36,41)/t26-,30-/m1/s1 | PDB
MMDB
Reactome pathway
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor-11a |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50201263
(CHEMBL3962367)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37FN4O8S/c1-18(2)47(42,43)29-11-9-21(36-33(41)46-5)15-23(29)26-7-6-12-38(26)32(40)30(19-8-10-27(44-3)28(14-19)45-4)37-25-16-22-20(13-24(25)34)17-35-31(22)39/h8-11,13-16,18,26,30,37H,6-7,12,17H2,1-5H3,(H,35,39)(H,36,41)/t26-,30-/m1/s1 | PDB
MMDB
Reactome pathway
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human urokinase |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50201262
(CHEMBL3949343)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H38N4O8S/c1-20(2)47(42,43)30-13-11-24(37-34(41)46-5)19-26(30)27-7-6-16-38(27)33(40)31(22-9-12-28(44-3)29(17-22)45-4)36-23-10-8-21-14-15-35-32(39)25(21)18-23/h8-15,17-20,27,31,36H,6-7,16H2,1-5H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1 | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50201262
(CHEMBL3949343)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H38N4O8S/c1-20(2)47(42,43)30-13-11-24(37-34(41)46-5)19-26(30)27-7-6-16-38(27)33(40)31(22-9-12-28(44-3)29(17-22)45-4)36-23-10-8-21-14-15-35-32(39)25(21)18-23/h8-15,17-20,27,31,36H,6-7,16H2,1-5H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human TPA |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50201263
(CHEMBL3962367)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37FN4O8S/c1-18(2)47(42,43)29-11-9-21(36-33(41)46-5)15-23(29)26-7-6-12-38(26)32(40)30(19-8-10-27(44-3)28(14-19)45-4)37-25-16-22-20(13-24(25)34)17-35-31(22)39/h8-11,13-16,18,26,30,37H,6-7,12,17H2,1-5H3,(H,35,39)(H,36,41)/t26-,30-/m1/s1 | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50201263
(CHEMBL3962367)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37FN4O8S/c1-18(2)47(42,43)29-11-9-21(36-33(41)46-5)15-23(29)26-7-6-12-38(26)32(40)30(19-8-10-27(44-3)28(14-19)45-4)37-25-16-22-20(13-24(25)34)17-35-31(22)39/h8-11,13-16,18,26,30,37H,6-7,12,17H2,1-5H3,(H,35,39)(H,36,41)/t26-,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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| CHEMBL
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UniChem
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| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor-10a |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50201263
(CHEMBL3962367)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37FN4O8S/c1-18(2)47(42,43)29-11-9-21(36-33(41)46-5)15-23(29)26-7-6-12-38(26)32(40)30(19-8-10-27(44-3)28(14-19)45-4)37-25-16-22-20(13-24(25)34)17-35-31(22)39/h8-11,13-16,18,26,30,37H,6-7,12,17H2,1-5H3,(H,35,39)(H,36,41)/t26-,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human TPA |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50201262
(CHEMBL3949343)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H38N4O8S/c1-20(2)47(42,43)30-13-11-24(37-34(41)46-5)19-26(30)27-7-6-16-38(27)33(40)31(22-9-12-28(44-3)29(17-22)45-4)36-23-10-8-21-14-15-35-32(39)25(21)18-23/h8-15,17-20,27,31,36H,6-7,16H2,1-5H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor-10a |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50201262
(CHEMBL3949343)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H38N4O8S/c1-20(2)47(42,43)30-13-11-24(37-34(41)46-5)19-26(30)27-7-6-16-38(27)33(40)31(22-9-12-28(44-3)29(17-22)45-4)36-23-10-8-21-14-15-35-32(39)25(21)18-23/h8-15,17-20,27,31,36H,6-7,16H2,1-5H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor-11a |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50201263
(CHEMBL3962367)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37FN4O8S/c1-18(2)47(42,43)29-11-9-21(36-33(41)46-5)15-23(29)26-7-6-12-38(26)32(40)30(19-8-10-27(44-3)28(14-19)45-4)37-25-16-22-20(13-24(25)34)17-35-31(22)39/h8-11,13-16,18,26,30,37H,6-7,12,17H2,1-5H3,(H,35,39)(H,36,41)/t26-,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human activated protein C |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50201262
(CHEMBL3949343)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H38N4O8S/c1-20(2)47(42,43)30-13-11-24(37-34(41)46-5)19-26(30)27-7-6-16-38(27)33(40)31(22-9-12-28(44-3)29(17-22)45-4)36-23-10-8-21-14-15-35-32(39)25(21)18-23/h8-15,17-20,27,31,36H,6-7,16H2,1-5H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human urokinase |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50201263
(CHEMBL3962367)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37FN4O8S/c1-18(2)47(42,43)29-11-9-21(36-33(41)46-5)15-23(29)26-7-6-12-38(26)32(40)30(19-8-10-27(44-3)28(14-19)45-4)37-25-16-22-20(13-24(25)34)17-35-31(22)39/h8-11,13-16,18,26,30,37H,6-7,12,17H2,1-5H3,(H,35,39)(H,36,41)/t26-,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor-9a |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50201263
(CHEMBL3962367)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37FN4O8S/c1-18(2)47(42,43)29-11-9-21(36-33(41)46-5)15-23(29)26-7-6-12-38(26)32(40)30(19-8-10-27(44-3)28(14-19)45-4)37-25-16-22-20(13-24(25)34)17-35-31(22)39/h8-11,13-16,18,26,30,37H,6-7,12,17H2,1-5H3,(H,35,39)(H,36,41)/t26-,30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201421
(CHEMBL3934811)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2c(C)c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H40N4O8S/c1-19(2)47(42,43)30-12-10-22(37-34(41)46-6)16-25(30)27-8-7-13-38(27)33(40)31(21-9-11-28(44-4)29(15-21)45-5)36-23-14-20(3)26-18-35-32(39)24(26)17-23/h9-12,14-17,19,27,31,36H,7-8,13,18H2,1-6H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1 | PDB
KEGG
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50201263
(CHEMBL3962367)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37FN4O8S/c1-18(2)47(42,43)29-11-9-21(36-33(41)46-5)15-23(29)26-7-6-12-38(26)32(40)30(19-8-10-27(44-3)28(14-19)45-4)37-25-16-22-20(13-24(25)34)17-35-31(22)39/h8-11,13-16,18,26,30,37H,6-7,12,17H2,1-5H3,(H,35,39)(H,36,41)/t26-,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity to human plasmin |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201418
(CHEMBL3982319)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(c[nH]c(=O)c2c1)C1CC1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C37H42N4O8S/c1-21(2)50(45,46)33-15-12-25(40-37(44)49-5)19-28(33)30-7-6-16-41(30)36(43)34(23-10-14-31(47-3)32(17-23)48-4)39-24-11-13-26-27(18-24)35(42)38-20-29(26)22-8-9-22/h10-15,17-22,30,34,39H,6-9,16H2,1-5H3,(H,38,42)(H,40,44)/t30-,34-/m1/s1 | PDB
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| Article
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| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201339
(CHEMBL3928051)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2CNC(=O)c2c1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37FN4O8S/c1-18(2)47(42,43)27-13-10-21(36-33(41)46-5)16-22(27)24-7-6-14-38(24)32(40)30(19-9-12-25(44-3)26(15-19)45-4)37-23-11-8-20-17-35-31(39)28(20)29(23)34/h8-13,15-16,18,24,30,37H,6-7,14,17H2,1-5H3,(H,35,39)(H,36,41)/t24-,30-/m1/s1 | PDB
KEGG
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UniChem
| Article
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| 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50201266
(CHEMBL3921548)Show SMILES CNC(=O)c1cccc(N[C@@H](C(=O)N2CCC[C@@H]2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)c2ccc(OC)c(OC)c2)c1 |r| Show InChI InChI=1S/C33H40N4O8S/c1-20(2)46(41,42)29-15-13-24(36-33(40)45-6)19-25(29)26-11-8-16-37(26)32(39)30(21-12-14-27(43-4)28(18-21)44-5)35-23-10-7-9-22(17-23)31(38)34-3/h7,9-10,12-15,17-20,26,30,35H,8,11,16H2,1-6H3,(H,34,38)(H,36,40)/t26-,30-/m1/s1 | PDB
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| >1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50201262
(CHEMBL3949343)Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H38N4O8S/c1-20(2)47(42,43)30-13-11-24(37-34(41)46-5)19-26(30)27-7-6-16-38(27)33(40)31(22-9-12-28(44-3)29(17-22)45-4)36-23-10-8-21-14-15-35-32(39)25(21)18-23/h8-15,17-20,27,31,36H,6-7,16H2,1-5H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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PC sid
UniChem
Similars
| Article
PubMed
| >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity to human plasmin |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50201265
(CHEMBL3947087)Show SMILES COC(=O)Nc1ccc(c(c1)[C@@H]1CCCN1C(=O)[C@H](Nc1cccc(c1)C(N)=O)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C32H38N4O8S/c1-19(2)45(40,41)28-14-12-23(35-32(39)44-5)18-24(28)25-10-7-15-36(25)31(38)29(20-11-13-26(42-3)27(17-20)43-4)34-22-9-6-8-21(16-22)30(33)37/h6,8-9,11-14,16-19,25,29,34H,7,10,15H2,1-5H3,(H2,33,37)(H,35,39)/t25-,29+/m0/s1 | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human tissue kallikrein using H-D-Val-Leu-Arg-AFC as substrate |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM14320
(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)Show InChI InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11) | PDB
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 4.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50126164
(CHEMBL3416132)Show InChI InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 8.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50106187
(Benzenecarboxamide | Benzoic acid amide | Benzoyla...)Show InChI InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 4.90E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins |
ACS Med Chem Lett 7: 1077-1081 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613 |
More data for this
Ligand-Target Pair | |
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