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Compile Data Set for Download or QSAR

Found 77 hits with Last Name = 'parkhurst' and Initial = 'bl'   
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=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
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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
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50242359
PNG
(CHEMBL4083729)
Show SMILES CN1Cc2cc(NC(=O)OCCc3c(C)cc(cc3C)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C1=O)ccc2S(=O)(=O)C1CC1
Show InChI InChI=1S/C33H34N4O6S/c1-19-14-22-15-20(2)27(19)11-13-43-33(40)36-24-6-9-29(44(41,42)26-7-8-26)23(16-24)18-37(3)32(39)30(22)35-25-5-4-21-10-12-34-31(38)28(21)17-25/h4-6,9-10,12,14-17,26,30,35H,7-8,11,13,18H2,1-3H3,(H,34,38)(H,36,40)/t30-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ...


Bioorg Med Chem Lett 27: 2650-2654 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420
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=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
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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
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50242363
PNG
(CHEMBL4095879)
Show SMILES Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)[C@@H](CC(O)=O)NC(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1
Show InChI InChI=1S/C31H30N4O6/c1-17-12-21-13-18(2)24(17)9-11-41-31(40)34-22-5-3-4-20(14-22)26(16-27(36)37)35-30(39)28(21)33-23-7-6-19-8-10-32-29(38)25(19)15-23/h3-8,10,12-15,26,28,33H,9,11,16H2,1-2H3,(H,32,38)(H,34,40)(H,35,39)(H,36,37)/t26-,28-/m1/s1
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9.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ...


Bioorg Med Chem Lett 27: 2650-2654 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420
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=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
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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=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
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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=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
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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=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
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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=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
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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
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50242360
PNG
(CHEMBL4069575)
Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1
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23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ...


Bioorg Med Chem Lett 27: 2650-2654 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=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
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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
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50242361
PNG
(CHEMBL4077853)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)OCCc3ccc(cc3)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C(=O)N(C)Cc1c2
Show InChI InChI=1S/C30H30N4O6S/c1-3-41(38,39)26-11-10-23-16-22(26)18-34(2)29(36)27(21-6-4-19(5-7-21)13-15-40-30(37)33-23)32-24-9-8-20-12-14-31-28(35)25(20)17-24/h4-12,14,16-17,27,32H,3,13,15,18H2,1-2H3,(H,31,35)(H,33,37)/t27-/m1/s1
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61n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ...


Bioorg Med Chem Lett 27: 2650-2654 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420
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=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
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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=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
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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
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50242364
PNG
(CHEMBL4080298)
Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(SC(C)C)c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C31H36N4O4S/c1-5-20-15-22-10-9-21(20)13-14-39-31(38)34-26-11-12-27(40-19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1
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91n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ...


Bioorg Med Chem Lett 27: 2650-2654 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420
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=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
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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=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
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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=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
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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=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
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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=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
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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=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
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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=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
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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))
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=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
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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))
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=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
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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
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50242362
PNG
(CHEMBL4066874)
Show SMILES CCOC(=O)C[C@H]1NC(=O)[C@H](Nc2ccc3cc[nH]c(=O)c3c2)c2cc(C)c(CCOC(=O)Nc3cccc1c3)c(C)c2
Show InChI InChI=1S/C33H34N4O6/c1-4-42-29(38)18-28-22-6-5-7-24(16-22)36-33(41)43-13-11-26-19(2)14-23(15-20(26)3)30(32(40)37-28)35-25-9-8-21-10-12-34-31(39)27(21)17-25/h5-10,12,14-17,28,30,35H,4,11,13,18H2,1-3H3,(H,34,39)(H,36,41)(H,37,40)/t28-,30-/m1/s1
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360n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ...


Bioorg Med Chem Lett 27: 2650-2654 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420
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=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
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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=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
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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
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50242360
PNG
(CHEMBL4069575)
Show SMILES CCc1cc2ccc1CCOC(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1
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610n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ...


Bioorg Med Chem Lett 27: 2650-2654 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50242368
PNG
(CHEMBL4088154)
Show SMILES Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)[C@H]1CCCN1C(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1
Show InChI InChI=1S/C32H32N4O4/c1-19-15-23-16-20(2)26(19)11-14-40-32(39)35-24-6-3-5-22(17-24)28-7-4-13-36(28)31(38)29(23)34-25-9-8-21-10-12-33-30(37)27(21)18-25/h3,5-6,8-10,12,15-18,28-29,34H,4,7,11,13-14H2,1-2H3,(H,33,37)(H,35,39)/t28-,29-/m1/s1
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840n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ...


Bioorg Med Chem Lett 27: 2650-2654 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420
More data for this
Ligand-Target Pair
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50242366
PNG
(CHEMBL4094405)
Show SMILES CC(C)S(=O)(=O)c1ccc2NC(=O)OCCc3ccc(cc3)[C@@H](Nc3cccc(c3)C(N)=O)C(=O)N(C)Cc1c2
Show InChI InChI=1S/C29H32N4O6S/c1-18(2)40(37,38)25-12-11-24-16-22(25)17-33(3)28(35)26(31-23-6-4-5-21(15-23)27(30)34)20-9-7-19(8-10-20)13-14-39-29(36)32-24/h4-12,15-16,18,26,31H,13-14,17H2,1-3H3,(H2,30,34)(H,32,36)/t26-/m1/s1
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940n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ...


Bioorg Med Chem Lett 27: 2650-2654 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420
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=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
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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
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=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
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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))
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=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
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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 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=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
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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
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=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
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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
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=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
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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 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=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
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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))
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=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
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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
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=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
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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
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=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
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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
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=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
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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
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=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
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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 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=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
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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 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=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
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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
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=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
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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
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=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
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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=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
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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
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50242365
PNG
(CHEMBL4104519)
Show SMILES CN1Cc2cccc(NC(=O)OCCc3c(C)cc(cc3C)C(Nc3ccc4cc[nH]c(=O)c4c3)C1=O)c2
Show InChI InChI=1S/C30H30N4O4/c1-18-13-22-14-19(2)25(18)10-12-38-30(37)33-23-6-4-5-20(15-23)17-34(3)29(36)27(22)32-24-8-7-21-9-11-31-28(35)26(21)16-24/h4-9,11,13-16,27,32H,10,12,17H2,1-3H3,(H,31,35)(H,33,37)
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1.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ...


Bioorg Med Chem Lett 27: 2650-2654 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420
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=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
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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
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50242369
PNG
(CHEMBL4073823)
Show SMILES CCc1cc2cc(CC)c1CCOC(=O)Nc1cccc(CNC(=O)C2Nc2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C29H32N4O4/c1-3-19-14-22-15-20(4-2)25(19)11-12-37-29(36)33-23-9-5-7-18(13-23)17-31-28(35)26(22)32-24-10-6-8-21(16-24)27(30)34/h5-10,13-16,26,32H,3-4,11-12,17H2,1-2H3,(H2,30,34)(H,31,35)(H,33,36)
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2.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for ...


Bioorg Med Chem Lett 27: 2650-2654 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.008
BindingDB Entry DOI: 10.7270/Q29P3420
More data for this
Ligand-Target Pair
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