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PubMed code 27994741

Compile data set for download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201268
PNG
(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
Show InChI InChI=1/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+/s2
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1.80n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201515
PNG
(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
Show InChI InChI=1/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-/s2
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9n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201267
PNG
(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
Show InChI InChI=1/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-/s2
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9.80n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201340
PNG
(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
Show InChI InChI=1/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-/s2
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11n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201416
PNG
(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
Show InChI InChI=1/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-/s2
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12n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201263
PNG
(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
Show InChI InChI=1/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-/s2
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13n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201262
PNG
(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
Show InChI InChI=1/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-/s2
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13n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201415
PNG
(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
Show InChI InChI=1/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-/s2
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23n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201423
PNG
(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
Show InChI InChI=1/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-/s2
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85n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201269
PNG
(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
Show InChI InChI=1/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-/s2
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88n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201417
PNG
(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
Show InChI InChI=1/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-/s2
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93n/an/an/an/an/an/an/an/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
PNG
(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
Show InChI InChI=1/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+/s2
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110n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201270
PNG
(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
Show InChI InChI=1/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-/s2
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120n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201420
PNG
(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
Show InChI InChI=1/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-/s2
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130n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201535
PNG
(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
Show InChI InChI=1/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-/s2
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130n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201269
PNG
(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
Show InChI InChI=1/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-/s2
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140n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201265
PNG
(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
Show InChI InChI=1/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+/s2
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190n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201419
PNG
(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
Show InChI InChI=1/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-/s2
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330n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201536
PNG
(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
Show InChI InChI=1/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-/s2
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330n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201264
PNG
(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
Show InChI InChI=1/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-/s2
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490n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201424
PNG
(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
Show InChI InChI=1/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-/s2
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600n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201422
PNG
(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
Show InChI InChI=1/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+/s2
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982n/an/an/an/an/an/an/an/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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50201263
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50201263
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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 XI


(Homo sapiens (Human))
BDBM50201263
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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
Coagulation factor XI


(Homo sapiens (Human))
BDBM50201262
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50201262
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50201262
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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 X


(Homo sapiens (Human))
BDBM50201263
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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 IX


(Homo sapiens (Human))
BDBM50201263
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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 IX


(Homo sapiens (Human))
BDBM50201262
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50201262
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50201263
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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
Plasma kallikrein


(Homo sapiens (Human))
BDBM50201262
PNG
(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
Show InChI InChI=1/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-/s2
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>1.00E+3n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201421
PNG
(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
Show InChI InChI=1/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-/s2
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1.60E+3n/an/an/an/an/an/an/an/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
PNG
(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
Show InChI InChI=1/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-/s2
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3.40E+3n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201418
PNG
(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
Show InChI InChI=1/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-/s2
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3.60E+3n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201339
PNG
(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
Show InChI InChI=1/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-/s2
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6.60E+3n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201266
PNG
(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
Show InChI InChI=1/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-/s2
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>1.30E+4n/an/an/an/an/an/an/an/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
PNG
(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
Show InChI InChI=1/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-/s2
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>2.70E+4n/an/an/an/an/an/an/an/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
PNG
(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
Show InChI InChI=1/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+/s2
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>1.00E+5n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM14320
PNG
(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Show SMILES Nc1nccc2ccccc12
Show InChI InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
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4.00E+6n/an/an/an/an/an/an/an/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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50126164
PNG
(CHEMBL3416132)
Show SMILES Clc1ccc2CCNC(=O)c2c1
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)
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8.90E+6n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50106187
PNG
(Benzenecarboxamide | Benzoic acid amide | Benzoyla...)
Show SMILES NC(=O)c1ccccc1
Show InChI InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
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4.90E+7n/an/an/an/an/an/an/an/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
* indicates data uncertainty>20%