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Compile Data Set for Download or QSAR

Found 475 hits with Last Name = 'south' and Initial = 'ms'   
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


(Homo sapiens (Human))		BDBM50167837
PNG
(3-Amino-N-((R)-sec-butyl)-5-{1-[(4-carbamimidoyl-b...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C28H36N8O3/c1-5-17(4)35-27(38)21-10-20(11-22(29)12-21)23-14-33-26(34-16(2)3)28(39)36(23)15-24(37)32-13-18-6-8-19(9-7-18)25(30)31/h6-12,14,16-17H,5,13,15,29H2,1-4H3,(H3,30,31)(H,32,37)(H,33,34)(H,35,38)/t17-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa

Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50167830
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-[1-({[(4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(N)=O)C(N)=N
Show InChI InChI=1S/C29H37N9O4/c1-5-16(4)37-28(41)20-8-19(9-21(30)10-20)23-13-35-27(36-15(2)3)29(42)38(23)14-24(39)34-12-18-7-6-17(25(31)32)11-22(18)26(33)40/h6-11,13,15-16H,5,12,14,30H2,1-4H3,(H3,31,32)(H2,33,40)(H,34,39)(H,35,36)(H,37,41)/t16-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa

Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50167833
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-(1-{[({4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)Nc1ccncc1)C(N)=N
Show InChI InChI=1S/C34H40N10O4/c1-5-20(4)42-32(46)24-12-23(13-25(35)14-24)28-17-40-31(41-19(2)3)34(48)44(28)18-29(45)39-16-22-7-6-21(30(36)37)15-27(22)33(47)43-26-8-10-38-11-9-26/h6-15,17,19-20H,5,16,18,35H2,1-4H3,(H3,36,37)(H,39,45)(H,40,41)(H,42,46)(H,38,43,47)/t20-/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa

Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (Human))		BDBM50167836
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-(1-{[({4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCC(F)(F)F)C(N)=N
Show InChI InChI=1S/C31H38F3N9O4/c1-5-17(4)42-28(45)21-8-20(9-22(35)10-21)24-13-39-27(41-16(2)3)30(47)43(24)14-25(44)38-12-19-7-6-18(26(36)37)11-23(19)29(46)40-15-31(32,33)34/h6-11,13,16-17H,5,12,14-15,35H2,1-4H3,(H3,36,37)(H,38,44)(H,39,41)(H,40,46)(H,42,45)/t17-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa

Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM14593
PNG
(3-amino-5-[1-({[(4-carbamimidoylphenyl)methyl]carb...)
Show SMILES CC(C)Nc1nc(Cl)c(-c2cc(N)cc(c2)C(O)=O)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C24H26ClN7O4/c1-12(2)30-22-23(34)32(11-18(33)29-10-13-3-5-14(6-4-13)21(27)28)19(20(25)31-22)15-7-16(24(35)36)9-17(26)8-15/h3-9,12H,10-11,26H2,1-2H3,(H3,27,28)(H,29,33)(H,30,31)(H,35,36)
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n/an/a 16n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM14535
PNG
(2-[6-(3-aminophenyl)-5-chloro-2-oxo-3-(propan-2-yl...)
Show SMILES CC(C)Nc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C23H26ClN7O2/c1-13(2)29-22-23(33)31(19(20(24)30-22)16-4-3-5-17(25)10-16)12-18(32)28-11-14-6-8-15(9-7-14)21(26)27/h3-10,13H,11-12,25H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)
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n/an/a 20n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50167835
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-[1-({[(4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCCN1CCOCC1)C(N)=N
Show InChI InChI=1S/C35H48N10O5/c1-5-22(4)43-33(47)26-14-25(15-27(36)16-26)29-19-41-32(42-21(2)3)35(49)45(29)20-30(46)40-18-24-7-6-23(31(37)38)17-28(24)34(48)39-8-9-44-10-12-50-13-11-44/h6-7,14-17,19,21-22H,5,8-13,18,20,36H2,1-4H3,(H3,37,38)(H,39,48)(H,40,46)(H,41,42)(H,43,47)/t22-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa

Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50215423
PNG
(2-(6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccccc1
Show InChI InChI=1S/C23H24ClN5O2/c24-21-20(16-8-4-9-17(25)12-16)29(23(31)22(28-21)27-18-10-5-11-18)14-19(30)26-13-15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14,25H2,(H,26,30)(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a

Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM14543
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1
Show InChI InChI=1S/C24H26ClN7O2/c25-21-20(16-3-1-4-17(26)11-16)32(24(34)23(31-21)30-18-5-2-6-18)13-19(33)29-12-14-7-9-15(10-8-14)22(27)28/h1,3-4,7-11,18H,2,5-6,12-13,26H2,(H3,27,28)(H,29,33)(H,30,31)
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n/an/a 20n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50167831
PNG
(CHEMBL189166 | {2-[(2-{6-[3-Amino-5-((R)-sec-butyl...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCC(O)=O)C(N)=N
Show InChI InChI=1S/C31H39N9O6/c1-5-17(4)39-29(44)21-8-20(9-22(32)10-21)24-13-36-28(38-16(2)3)31(46)40(24)15-25(41)35-12-19-7-6-18(27(33)34)11-23(19)30(45)37-14-26(42)43/h6-11,13,16-17H,5,12,14-15,32H2,1-4H3,(H3,33,34)(H,35,41)(H,36,38)(H,37,45)(H,39,44)(H,42,43)/t17-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa

Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50167832
PNG
(CHEMBL189597 | {2-[(2-{6-[3-Amino-5-((R)-sec-butyl...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCC(=O)OC)C(N)=N
Show InChI InChI=1S/C32H41N9O6/c1-6-18(4)40-30(44)22-9-21(10-23(33)11-22)25-14-37-29(39-17(2)3)32(46)41(25)16-26(42)36-13-20-8-7-19(28(34)35)12-24(20)31(45)38-15-27(43)47-5/h7-12,14,17-18H,6,13,15-16,33H2,1-5H3,(H3,34,35)(H,36,42)(H,37,39)(H,38,45)(H,40,44)/t18-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa

Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50130063
PNG
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C34H39N7O5S2/c35-34(36)38-18-10-17-27(30(42)33-37-19-20-47-33)39-31(43)28(21-24-11-4-1-5-12-24)40-32(44)29(22-25-13-6-2-7-14-25)41-48(45,46)23-26-15-8-3-9-16-26/h1-9,11-16,19-20,27-29,41H,10,17-18,21-23H2,(H,39,43)(H,40,44)(H4,35,36,38)/t27-,28-,29+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor X.

J Med Chem 46: 4043-9 (2003)


Article DOI: 10.1021/jm030130t
BindingDB Entry DOI: 10.7270/Q2BC4092
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50130063
PNG
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C34H39N7O5S2/c35-34(36)38-18-10-17-27(30(42)33-37-19-20-47-33)39-31(43)28(21-24-11-4-1-5-12-24)40-32(44)29(22-25-13-6-2-7-14-25)41-48(45,46)23-26-15-8-3-9-16-26/h1-9,11-16,19-20,27-29,41H,10,17-18,21-23H2,(H,39,43)(H,40,44)(H4,35,36,38)/t27-,28-,29+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of coagulation factor X

Bioorg Med Chem Lett 13: 2363-7 (2003)


BindingDB Entry DOI: 10.7270/Q2RX9CMS
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM14543
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1
Show InChI InChI=1S/C24H26ClN7O2/c25-21-20(16-3-1-4-17(26)11-16)32(24(34)23(31-21)30-18-5-2-6-18)13-19(33)29-12-14-7-9-15(10-8-14)22(27)28/h1,3-4,7-11,18H,2,5-6,12-13,26H2,(H3,27,28)(H,29,33)(H,30,31)
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n/an/a 32n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against trypsin

Bioorg Med Chem Lett 13: 2319-25 (2003)


BindingDB Entry DOI: 10.7270/Q2G16068
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM14520
PNG
(N-[(4-carbamimidoylphenyl)methyl]-2-(5-chloro-3-{[...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3cccc(Cl)c3)c2=O)-c2ccccc2)cc1
Show InChI InChI=1S/C28H26Cl2N6O2/c29-22-8-4-5-18(15-22)13-14-33-27-28(38)36(24(25(30)35-27)20-6-2-1-3-7-20)17-23(37)34-16-19-9-11-21(12-10-19)26(31)32/h1-12,15H,13-14,16-17H2,(H3,31,32)(H,33,35)(H,34,37)
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n/an/a<40n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM14519
PNG
(N-[(4-carbamimidoylphenyl)methyl]-2-(5-chloro-3-{[...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccc(Cl)cc3)c2=O)-c2ccccc2)cc1
Show InChI InChI=1S/C28H26Cl2N6O2/c29-22-12-8-18(9-13-22)14-15-33-27-28(38)36(24(25(30)35-27)20-4-2-1-3-5-20)17-23(37)34-16-19-6-10-21(11-7-19)26(31)32/h1-13H,14-17H2,(H3,31,32)(H,33,35)(H,34,37)
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n/an/a<40n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM14563
PNG
(N-[(4-carbamimidoylphenyl)methyl]-2-{5-chloro-6-et...)
Show SMILES CCc1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H27ClN6O2/c1-2-19-21(25)30-23(28-13-12-16-6-4-3-5-7-16)24(33)31(19)15-20(32)29-14-17-8-10-18(11-9-17)22(26)27/h3-11H,2,12-15H2,1H3,(H3,26,27)(H,28,30)(H,29,32)
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n/an/a<40n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50215433
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(F)c1
Show InChI InChI=1S/C24H25ClFN7O2/c25-21-20(13-3-1-4-16(27)9-13)33(24(35)23(32-21)31-17-5-2-6-17)12-19(34)30-11-15-8-7-14(22(28)29)10-18(15)26/h1,3-4,7-10,17H,2,5-6,11-12,27H2,(H3,28,29)(H,30,34)(H,31,32)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a

Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM14528
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(ethylamino)-2-oxo...)
Show SMILES CCNc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C22H24ClN7O2/c1-2-27-21-22(32)30(18(19(23)29-21)15-4-3-5-16(24)10-15)12-17(31)28-11-13-6-8-14(9-7-13)20(25)26/h3-10H,2,11-12,24H2,1H3,(H3,25,26)(H,27,29)(H,28,31)
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n/an/a 40n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50129981
PNG
(2-(5-Chloro-2-oxo-3-phenethylamino-6-phenyl-2H-pyr...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)Cn1c(c(Cl)nc(NCCc2ccccc2)c1=O)-c1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C29H31ClN8O3S/c30-25-23(20-10-5-2-6-11-20)38(28(41)26(37-25)33-15-13-19-8-3-1-4-9-19)18-22(39)36-21(12-7-14-35-29(31)32)24(40)27-34-16-17-42-27/h1-6,8-11,16-17,21H,7,12-15,18H2,(H,33,37)(H,36,39)(H4,31,32,35)/t21-/m0/s1
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n/an/a<40n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against Thrombin

Bioorg Med Chem Lett 13: 2319-25 (2003)


BindingDB Entry DOI: 10.7270/Q2G16068
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50215423
PNG
(2-(6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccccc1
Show InChI InChI=1S/C23H24ClN5O2/c24-21-20(16-8-4-9-17(25)12-16)29(23(31)22(28-21)27-18-10-5-11-18)14-19(30)26-13-15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14,25H2,(H,26,30)(H,27,28)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a

Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50133093
PNG
((R)-N-{(S)-1-[(S)-4-guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C28H35N7O6S2/c29-28(30)32-13-7-12-21(24(37)27-31-14-15-42-27)33-26(39)23(17-36)34-25(38)22(16-19-8-3-1-4-9-19)35-43(40,41)18-20-10-5-2-6-11-20/h1-6,8-11,14-15,21-23,35-36H,7,12-13,16-18H2,(H,33,39)(H,34,38)(H4,29,30,32)/t21-,22+,23-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin (IIa).

J Med Chem 46: 4043-9 (2003)


Article DOI: 10.1021/jm030130t
BindingDB Entry DOI: 10.7270/Q2BC4092
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50130063
PNG
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C34H39N7O5S2/c35-34(36)38-18-10-17-27(30(42)33-37-19-20-47-33)39-31(43)28(21-24-11-4-1-5-12-24)40-32(44)29(22-25-13-6-2-7-14-25)41-48(45,46)23-26-15-8-3-9-16-26/h1-9,11-16,19-20,27-29,41H,10,17-18,21-23H2,(H,39,43)(H,40,44)(H4,35,36,38)/t27-,28-,29+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of tissue coagulation factor VII

Bioorg Med Chem Lett 13: 2363-7 (2003)


BindingDB Entry DOI: 10.7270/Q2RX9CMS
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50130063
PNG
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C34H39N7O5S2/c35-34(36)38-18-10-17-27(30(42)33-37-19-20-47-33)39-31(43)28(21-24-11-4-1-5-12-24)40-32(44)29(22-25-13-6-2-7-14-25)41-48(45,46)23-26-15-8-3-9-16-26/h1-9,11-16,19-20,27-29,41H,10,17-18,21-23H2,(H,39,43)(H,40,44)(H4,35,36,38)/t27-,28-,29+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue coagulation factor VII.

J Med Chem 46: 4043-9 (2003)


Article DOI: 10.1021/jm030130t
BindingDB Entry DOI: 10.7270/Q2BC4092
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM14537
PNG
(2-[6-(3-aminophenyl)-5-chloro-2-oxo-3-(pentan-3-yl...)
Show SMILES CCC(CC)Nc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C25H30ClN7O2/c1-3-19(4-2)31-24-25(35)33(21(22(26)32-24)17-6-5-7-18(27)12-17)14-20(34)30-13-15-8-10-16(11-9-15)23(28)29/h5-12,19H,3-4,13-14,27H2,1-2H3,(H3,28,29)(H,30,34)(H,31,32)
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n/an/a 50n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50215433
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(F)c1
Show InChI InChI=1S/C24H25ClFN7O2/c25-21-20(13-3-1-4-16(27)9-13)33(24(35)23(32-21)31-17-5-2-6-17)12-19(34)30-11-15-8-7-14(22(28)29)10-18(15)26/h1,3-4,7-10,17H,2,5-6,11-12,27H2,(H3,28,29)(H,30,34)(H,31,32)
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n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a

Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM14497
PNG
(2-Pyridone 14b | N-[(4-carbamimidoylphenyl)methyl]...)
Show SMILES CC(C)Nc1ccc(-c2cc(N)cc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-14(2)30-20-7-8-21(17-9-18(25)11-19(26)10-17)31(24(20)33)13-22(32)29-12-15-3-5-16(6-4-15)23(27)28/h3-11,14,30H,12-13,25-26H2,1-2H3,(H3,27,28)(H,29,32)
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n/an/a 52n/an/an/an/a8.022



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...

J Med Chem 46: 4696-701 (2003)


Article DOI: 10.1021/jm0301686
BindingDB Entry DOI: 10.7270/Q2KK992S
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50215425
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1F
Show InChI InChI=1S/C24H25ClFN7O2/c25-21-20(14-3-1-4-15(27)10-14)33(24(35)23(32-21)31-16-5-2-6-16)12-19(34)30-11-13-7-8-17(22(28)29)18(26)9-13/h1,3-4,7-10,16H,2,5-6,11-12,27H2,(H3,28,29)(H,30,34)(H,31,32)
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n/an/a 60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a

Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM14562
PNG
(N-[(4-carbamimidoylphenyl)methyl]-2-{5-chloro-6-me...)
Show SMILES Cc1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C23H25ClN6O2/c1-15-20(24)29-22(27-12-11-16-5-3-2-4-6-16)23(32)30(15)14-19(31)28-13-17-7-9-18(10-8-17)21(25)26/h2-10H,11-14H2,1H3,(H3,25,26)(H,27,29)(H,28,31)
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n/an/a 60n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM14526
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(methylamino)-2-ox...)
Show SMILES CNc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C21H22ClN7O2/c1-26-20-21(31)29(17(18(22)28-20)14-3-2-4-15(23)9-14)11-16(30)27-10-12-5-7-13(8-6-12)19(24)25/h2-9H,10-11,23H2,1H3,(H3,24,25)(H,26,28)(H,27,30)
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n/an/a 60n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM14593
PNG
(3-amino-5-[1-({[(4-carbamimidoylphenyl)methyl]carb...)
Show SMILES CC(C)Nc1nc(Cl)c(-c2cc(N)cc(c2)C(O)=O)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C24H26ClN7O4/c1-12(2)30-22-23(34)32(11-18(33)29-10-13-3-5-14(6-4-13)21(27)28)19(20(25)31-22)15-7-16(24(35)36)9-17(26)8-15/h3-9,12H,10-11,26H2,1-2H3,(H3,27,28)(H,29,33)(H,30,31)(H,35,36)
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n/an/a 64n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against trypsin

Bioorg Med Chem Lett 13: 2319-25 (2003)


BindingDB Entry DOI: 10.7270/Q2G16068
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM14583
PNG
(2-[6-(3-aminophenyl)-5-chloro-2-oxo-3-[(2-phenylet...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2cccc(N)c2)cc1
Show InChI InChI=1S/C28H28ClN7O2/c29-25-24(21-7-4-8-22(30)15-21)36(17-23(37)34-16-19-9-11-20(12-10-19)26(31)32)28(38)27(35-25)33-14-13-18-5-2-1-3-6-18/h1-12,15H,13-14,16-17,30H2,(H3,31,32)(H,33,35)(H,34,37)
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n/an/a 70n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM14552
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-[(3-hydroxypropyl)...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCCO)c2=O)-c2cccc(N)c2)cc1
Show InChI InChI=1S/C23H26ClN7O3/c24-20-19(16-3-1-4-17(25)11-16)31(23(34)22(30-20)28-9-2-10-32)13-18(33)29-12-14-5-7-15(8-6-14)21(26)27/h1,3-8,11,32H,2,9-10,12-13,25H2,(H3,26,27)(H,28,30)(H,29,33)
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n/an/a 90n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50130060
PNG
((R)-N-{(S)-2-(2-fluoro-phenyl)-1-[(S)-4-guanidino-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1F)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C34H38FN7O5S2/c35-26-15-8-7-14-25(26)21-28(31(44)40-27(16-9-17-39-34(36)37)30(43)33-38-18-19-48-33)41-32(45)29(20-23-10-3-1-4-11-23)42-49(46,47)22-24-12-5-2-6-13-24/h1-8,10-15,18-19,27-29,42H,9,16-17,20-22H2,(H,40,44)(H,41,45)(H4,36,37,39)/t27-,28-,29+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue coagulation factor VII.

J Med Chem 46: 4043-9 (2003)


Article DOI: 10.1021/jm030130t
BindingDB Entry DOI: 10.7270/Q2BC4092
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50130060
PNG
((R)-N-{(S)-2-(2-fluoro-phenyl)-1-[(S)-4-guanidino-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1F)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C34H38FN7O5S2/c35-26-15-8-7-14-25(26)21-28(31(44)40-27(16-9-17-39-34(36)37)30(43)33-38-18-19-48-33)41-32(45)29(20-23-10-3-1-4-11-23)42-49(46,47)22-24-12-5-2-6-13-24/h1-8,10-15,18-19,27-29,42H,9,16-17,20-22H2,(H,40,44)(H,41,45)(H4,36,37,39)/t27-,28-,29+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of tissue coagulation factor VII

Bioorg Med Chem Lett 13: 2363-7 (2003)


BindingDB Entry DOI: 10.7270/Q2RX9CMS
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM14571
PNG
(N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-6-(4...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H26ClFN6O2/c29-25-24(20-10-12-22(30)13-11-20)36(17-23(37)34-16-19-6-8-21(9-7-19)26(31)32)28(38)27(35-25)33-15-14-18-4-2-1-3-5-18/h1-13H,14-17H2,(H3,31,32)(H,33,35)(H,34,37)
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n/an/a 100n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM14533
PNG
(2-[6-(3-aminophenyl)-3-(butylamino)-5-chloro-2-oxo...)
Show SMILES CCCCNc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C24H28ClN7O2/c1-2-3-11-29-23-24(34)32(20(21(25)31-23)17-5-4-6-18(26)12-17)14-19(33)30-13-15-7-9-16(10-8-15)22(27)28/h4-10,12H,2-3,11,13-14,26H2,1H3,(H3,27,28)(H,29,31)(H,30,33)
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n/an/a 100n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM14592
PNG
(N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-6-(3...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C29H30ClN7O4S/c1-42(40,41)36-23-9-5-8-22(16-23)25-26(30)35-28(33-15-14-19-6-3-2-4-7-19)29(39)37(25)18-24(38)34-17-20-10-12-21(13-11-20)27(31)32/h2-13,16,36H,14-15,17-18H2,1H3,(H3,31,32)(H,33,35)(H,34,38)
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n/an/a 100n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50129982
PNG
((S)-2-(6-benzyl-5-chloro-2-oxo-3-(phenethylamino)p...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)Cn1c(Cc2ccccc2)c(Cl)nc(NCCc2ccccc2)c1=O)C(=O)c1nccs1
Show InChI InChI=1S/C30H33ClN8O3S/c31-26-23(18-21-10-5-2-6-11-21)39(29(42)27(38-26)34-15-13-20-8-3-1-4-9-20)19-24(40)37-22(12-7-14-36-30(32)33)25(41)28-35-16-17-43-28/h1-6,8-11,16-17,22H,7,12-15,18-19H2,(H,34,38)(H,37,40)(H4,32,33,36)/t22-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Thrombin

Bioorg Med Chem Lett 13: 2319-25 (2003)


BindingDB Entry DOI: 10.7270/Q2G16068
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50215426
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1c(O)c(F)c(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)c(F)c1F
Show InChI InChI=1S/C24H23ClF3N7O3/c25-21-19(10-3-1-4-11(29)7-10)35(24(38)23(34-21)33-12-5-2-6-12)9-14(36)32-8-13-16(26)18(28)15(22(30)31)20(37)17(13)27/h1,3-4,7,12,37H,2,5-6,8-9,29H2,(H3,30,31)(H,32,36)(H,33,34)
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n/an/a 110n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a

Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50133093
PNG
((R)-N-{(S)-1-[(S)-4-guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C28H35N7O6S2/c29-28(30)32-13-7-12-21(24(37)27-31-14-15-42-27)33-26(39)23(17-36)34-25(38)22(16-19-8-3-1-4-9-19)35-43(40,41)18-20-10-5-2-6-11-20/h1-6,8-11,14-15,21-23,35-36H,7,12-13,16-18H2,(H,33,39)(H,34,38)(H4,29,30,32)/t21-,22+,23-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue coagulation factor VII.

J Med Chem 46: 4043-9 (2003)


Article DOI: 10.1021/jm030130t
BindingDB Entry DOI: 10.7270/Q2BC4092
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM14590
PNG
(N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-6-(3...)
Show SMILES CC(=O)Nc1cccc(c1)-c1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C30H30ClN7O3/c1-19(39)36-24-9-5-8-23(16-24)26-27(31)37-29(34-15-14-20-6-3-2-4-7-20)30(41)38(26)18-25(40)35-17-21-10-12-22(13-11-21)28(32)33/h2-13,16H,14-15,17-18H2,1H3,(H3,32,33)(H,34,37)(H,35,40)(H,36,39)
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n/an/a 110n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM14495
PNG
(2-Pyridone 14a | 3-amino-5-[1-({[(4-carbamimidoylp...)
Show SMILES CC(C)Nc1ccc(-c2cc(N)cc(c2)C(O)=O)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C25H28N6O4/c1-14(2)30-20-7-8-21(17-9-18(25(34)35)11-19(26)10-17)31(24(20)33)13-22(32)29-12-15-3-5-16(6-4-15)23(27)28/h3-11,14,30H,12-13,26H2,1-2H3,(H3,27,28)(H,29,32)(H,34,35)
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n/an/a 118n/an/an/an/a8.022



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...

J Med Chem 46: 4696-701 (2003)


Article DOI: 10.1021/jm0301686
BindingDB Entry DOI: 10.7270/Q2KK992S
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM14550
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-[(2-methoxyethyl)a...)
Show SMILES COCCNc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C23H26ClN7O3/c1-34-10-9-28-22-23(33)31(19(20(24)30-22)16-3-2-4-17(25)11-16)13-18(32)29-12-14-5-7-15(8-6-14)21(26)27/h2-8,11H,9-10,12-13,25H2,1H3,(H3,26,27)(H,28,30)(H,29,32)
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n/an/a 140n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50133097
PNG
(CHEMBL334121 | N-{2-Benzo[b]thiophen-3-yl-1-[4-gua...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C36H39N7O5S3/c37-36(38)40-17-9-15-28(32(44)35-39-18-19-49-35)41-33(45)29(21-26-22-50-31-16-8-7-14-27(26)31)42-34(46)30(20-24-10-3-1-4-11-24)43-51(47,48)23-25-12-5-2-6-13-25/h1-8,10-14,16,18-19,22,28-30,43H,9,15,17,20-21,23H2,(H,41,45)(H,42,46)(H4,37,38,40)/t28-,29-,30+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor X.

J Med Chem 46: 4043-9 (2003)


Article DOI: 10.1021/jm030130t
BindingDB Entry DOI: 10.7270/Q2BC4092
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM14498
PNG
(CHEMBL75084 | N-[(4-carbamimidoylphenyl)methyl]-2-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2ccccc2)cc1
Show InChI InChI=1S/C28H27ClN6O2/c29-25-24(21-9-5-2-6-10-21)35(18-23(36)33-17-20-11-13-22(14-12-20)26(30)31)28(37)27(34-25)32-16-15-19-7-3-1-4-8-19/h1-14H,15-18H2,(H3,30,31)(H,32,34)(H,33,36)
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n/an/a 150n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Thrombin

Bioorg Med Chem Lett 13: 2319-25 (2003)


BindingDB Entry DOI: 10.7270/Q2G16068
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM14501
PNG
(N-[(6-carbamimidoylpyridin-3-yl)methyl]-2-{2-oxo-6...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(cnc(NCCc3ccccc3)c2=O)-c2ccccc2)cn1
Show InChI InChI=1S/C27H27N7O2/c28-25(29)22-12-11-20(15-31-22)16-32-24(35)18-34-23(21-9-5-2-6-10-21)17-33-26(27(34)36)30-14-13-19-7-3-1-4-8-19/h1-12,15,17H,13-14,16,18H2,(H3,28,29)(H,30,33)(H,32,35)
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n/an/a 150n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was...

J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50167834
PNG
(2-[(2-{6-[3-Amino-5-((R)-sec-butylcarbamoyl)-pheny...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(O)=O)C(N)=N
Show InChI InChI=1S/C29H36N8O5/c1-5-16(4)36-27(39)20-8-19(9-21(30)10-20)23-13-34-26(35-15(2)3)28(40)37(23)14-24(38)33-12-18-7-6-17(25(31)32)11-22(18)29(41)42/h6-11,13,15-16H,5,12,14,30H2,1-4H3,(H3,31,32)(H,33,38)(H,34,35)(H,36,39)(H,41,42)/t16-/m1/s1
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n/an/a 152n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa

Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50130058
PNG
((R)-N-{(S)-2-(3,4-Difluoro-phenyl)-1-[(S)-4-guanid...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C34H37F2N7O5S2/c35-25-14-13-24(18-26(25)36)20-28(31(45)41-27(12-7-15-40-34(37)38)30(44)33-39-16-17-49-33)42-32(46)29(19-22-8-3-1-4-9-22)43-50(47,48)21-23-10-5-2-6-11-23/h1-6,8-11,13-14,16-18,27-29,43H,7,12,15,19-21H2,(H,41,45)(H,42,46)(H4,37,38,40)/t27-,28-,29+/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of tissue coagulation factor VII

Bioorg Med Chem Lett 13: 2363-7 (2003)


BindingDB Entry DOI: 10.7270/Q2RX9CMS
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50130058
PNG
((R)-N-{(S)-2-(3,4-Difluoro-phenyl)-1-[(S)-4-guanid...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C34H37F2N7O5S2/c35-25-14-13-24(18-26(25)36)20-28(31(45)41-27(12-7-15-40-34(37)38)30(44)33-39-16-17-49-33)42-32(46)29(19-22-8-3-1-4-9-22)43-50(47,48)21-23-10-5-2-6-11-23/h1-6,8-11,13-14,16-18,27-29,43H,7,12,15,19-21H2,(H,41,45)(H,42,46)(H4,37,38,40)/t27-,28-,29+/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue coagulation factor VII.

J Med Chem 46: 4043-9 (2003)


Article DOI: 10.1021/jm030130t
BindingDB Entry DOI: 10.7270/Q2BC4092
More data for this
Ligand-Target Pair
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