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Compile Data Set for Download or QSAR

Found 10 hits of ki for monomerid = 50201263   
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 VII/Tissue factor


(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 |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
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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 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 |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
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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 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 |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
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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
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 |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
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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
Urokinase-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 |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
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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
Prothrombin


(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 |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
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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 |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
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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))
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 |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
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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
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 |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
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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
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 |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
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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