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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 1587   
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 X


(Homo sapiens (Human))
BDBM12396
PNG
(1-[5-(5-Chlorothiophen-2-yl)isoxazol-3-ylmethyl]-3...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(C#N)c2cccc(C)c2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C27H28ClN5O2S/c1-16(2)32-11-9-18(10-12-32)30-27(34)26-21(14-29)20-6-4-5-17(3)25(20)33(26)15-19-13-22(35-31-19)23-7-8-24(28)36-23/h4-8,13,16,18H,9-12,15H2,1-3H3,(H,30,34)
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0.0700n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12389
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cccc([N+]([O-])=O)c2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H26ClN5O4S/c1-15(2)29-10-8-17(9-11-29)27-25(32)20-12-16-4-3-5-19(31(33)34)24(16)30(20)14-18-13-21(35-28-18)22-6-7-23(26)36-22/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H,27,32)
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0.100n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12387
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cccc(C)c2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C26H29ClN4O2S/c1-16(2)30-11-9-19(10-12-30)28-26(32)21-13-18-6-4-5-17(3)25(18)31(21)15-20-14-22(33-29-20)23-7-8-24(27)34-23/h4-8,13-14,16,19H,9-12,15H2,1-3H3,(H,28,32)
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0.25 -54.8n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12395
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(C#N)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C26H26ClN5O2S/c1-16(2)31-11-9-17(10-12-31)29-26(33)25-20(14-28)19-5-3-4-6-21(19)32(25)15-18-13-22(34-30-18)23-7-8-24(27)35-23/h3-8,13,16-17H,9-12,15H2,1-2H3,(H,29,33)
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0.300n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12384
PNG
(2-Carboxyindole Scaffold 35 | 7-Chloro-1-[5-(5-chl...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cccc(Cl)c2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H26Cl2N4O2S/c1-15(2)30-10-8-17(9-11-30)28-25(32)20-12-16-4-3-5-19(26)24(16)31(20)14-18-13-21(33-29-18)22-6-7-23(27)34-22/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H,28,32)
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0.700 -52.3n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12388
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2c(C)ccc(C)c2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C27H31ClN4O2S/c1-16(2)31-11-9-19(10-12-31)29-27(33)22-14-21-17(3)5-6-18(4)26(21)32(22)15-20-13-23(34-30-20)24-7-8-25(28)35-24/h5-8,13-14,16,19H,9-12,15H2,1-4H3,(H,29,33)
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1n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12381
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(ccc2n1Cc1cc(on1)-c1ccc(Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C25H26ClN5O4S/c1-15(2)29-9-7-17(8-10-29)27-25(32)21-12-16-11-19(31(33)34)3-4-20(16)30(21)14-18-13-22(35-28-18)23-5-6-24(26)36-23/h3-6,11-13,15,17H,7-10,14H2,1-2H3,(H,27,32)
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1 -51.4n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12379
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(ccc2n1Cc1cc(on1)-c1ccc(Cl)s1)C#N
Show InChI InChI=1S/C26H26ClN5O2S/c1-16(2)31-9-7-19(8-10-31)29-26(33)22-12-18-11-17(14-28)3-4-21(18)32(22)15-20-13-23(34-30-20)24-5-6-25(27)35-24/h3-6,11-13,16,19H,7-10,15H2,1-2H3,(H,29,33)
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2 -49.7n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12391
PNG
(2-Carboxyindole Scaffold 23 | 3-chloro-1-{[5-(5-ch...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(Cl)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H26Cl2N4O2S/c1-15(2)30-11-9-16(10-12-30)28-25(32)24-23(27)18-5-3-4-6-19(18)31(24)14-17-13-20(33-29-17)21-7-8-22(26)34-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,28,32)
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2n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12392
PNG
(2-Carboxyindole Scaffold 24 | 3-Bromo-1-[5-(5-chlo...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(Br)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H26BrClN4O2S/c1-15(2)30-11-9-16(10-12-30)28-25(32)24-23(26)18-5-3-4-6-19(18)31(24)14-17-13-20(33-29-17)21-7-8-22(27)34-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,28,32)
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2n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12390
PNG
(1-[5-(5-Chlorothiophen-2-yl)isoxazol-3-ylmethyl]-3...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(F)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H26ClFN4O2S/c1-15(2)30-11-9-16(10-12-30)28-25(32)24-23(27)18-5-3-4-6-19(18)31(24)14-17-13-20(33-29-17)21-7-8-22(26)34-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,28,32)
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2n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12385
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2c(C)cccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C26H29ClN4O2S/c1-16(2)30-11-9-18(10-12-30)28-26(32)22-14-20-17(3)5-4-6-21(20)31(22)15-19-13-23(33-29-19)24-7-8-25(27)34-24/h4-8,13-14,16,18H,9-12,15H2,1-3H3,(H,28,32)
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3 -48.6n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12372
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31)
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3 -48.6n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12374
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(F)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H26ClFN4O2S/c1-15(2)30-9-7-18(8-10-30)28-25(32)21-12-16-11-17(27)3-4-20(16)31(21)14-19-13-22(33-29-19)23-5-6-24(26)34-23/h3-6,11-13,15,18H,7-10,14H2,1-2H3,(H,28,32)
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3 -48.6n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12400
PNG
(1-[(4-Chloro-phenylcarbamoyl)-methyl]-1H-indole-2-...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)
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3n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12393
PNG
(1-[5-(5-Chlorothiophen-2-yl)isoxazol-3-ylmethyl]-3...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(C)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C26H29ClN4O2S/c1-16(2)30-12-10-18(11-13-30)28-26(32)25-17(3)20-6-4-5-7-21(20)31(25)15-19-14-22(33-29-19)23-8-9-24(27)34-23/h4-9,14,16,18H,10-13,15H2,1-3H3,(H,28,32)
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3n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12375
PNG
(2-Carboxyindole Scaffold 26 | 5-Chloro-1-[5-(5-chl...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(Cl)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H26Cl2N4O2S/c1-15(2)30-9-7-18(8-10-30)28-25(32)21-12-16-11-17(26)3-4-20(16)31(21)14-19-13-22(33-29-19)23-5-6-24(27)34-23/h3-6,11-13,15,18H,7-10,14H2,1-2H3,(H,28,32)
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5 -47.4n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12383
PNG
(2-Carboxyindole Scaffold 34 | 6-Chloro-1-[5-(5-chl...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccc(Cl)cc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H26Cl2N4O2S/c1-15(2)30-9-7-18(8-10-30)28-25(32)21-11-16-3-4-17(26)12-20(16)31(21)14-19-13-22(33-29-19)23-5-6-24(27)34-23/h3-6,11-13,15,18H,7-10,14H2,1-2H3,(H,28,32)
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7 -46.5n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12382
PNG
(2-Carboxyindole Scaffold 33 | 4-Chloro-1-[5-(5-chl...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2c(Cl)cccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H26Cl2N4O2S/c1-15(2)30-10-8-16(9-11-30)28-25(32)21-13-18-19(26)4-3-5-20(18)31(21)14-17-12-22(33-29-17)23-6-7-24(27)34-23/h3-7,12-13,15-16H,8-11,14H2,1-2H3,(H,28,32)
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7 -46.5n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12397
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(C#N)c2cc(ccc2n1Cc1cc(on1)-c1ccc(Cl)s1)S(C)(=O)=O
Show InChI InChI=1S/C27H28ClN5O4S2/c1-16(2)32-10-8-17(9-11-32)30-27(34)26-21(14-29)20-13-19(39(3,35)36)4-5-22(20)33(26)15-18-12-23(37-31-18)24-6-7-25(28)38-24/h4-7,12-13,16-17H,8-11,15H2,1-3H3,(H,30,34)
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7n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12378
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(C)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C26H29ClN4O2S/c1-16(2)30-10-8-19(9-11-30)28-26(32)22-13-18-12-17(3)4-5-21(18)31(22)15-20-14-23(33-29-20)24-6-7-25(27)34-24/h4-7,12-14,16,19H,8-11,15H2,1-3H3,(H,28,32)
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9 -45.9n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12376
PNG
(2-Carboxyindole Scaffold 27 | 5-Bromo-1-[5-(5-chlo...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(Br)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H26BrClN4O2S/c1-15(2)30-9-7-18(8-10-30)28-25(32)21-12-16-11-17(26)3-4-20(16)31(21)14-19-13-22(33-29-19)23-5-6-24(27)34-23/h3-6,11-13,15,18H,7-10,14H2,1-2H3,(H,28,32)
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9 -45.9n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12386
PNG
(1-[5-(5-Chlorothiophen-2-yl)isoxazol-3-ylmethyl]-6...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccc(C)cc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C26H29ClN4O2S/c1-16(2)30-10-8-19(9-11-30)28-26(32)22-13-18-5-4-17(3)12-21(18)31(22)15-20-14-23(33-29-20)24-6-7-25(27)34-24/h4-7,12-14,16,19H,8-11,15H2,1-3H3,(H,28,32)
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18 -44.2n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12380
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(ccc2n1Cc1cc(on1)-c1ccc(Cl)s1)S(C)(=O)=O
Show InChI InChI=1S/C26H29ClN4O4S2/c1-16(2)30-10-8-18(9-11-30)28-26(32)22-13-17-12-20(37(3,33)34)4-5-21(17)31(22)15-19-14-23(35-29-19)24-6-7-25(27)36-24/h4-7,12-14,16,18H,8-11,15H2,1-3H3,(H,28,32)
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20 -43.9n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12402
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dichloro...)
Show SMILES Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C25H22Cl2N4O/c1-15-4-2-7-22-21(15)12-23(25(32)30-13-17-9-19(26)11-20(27)10-17)31(22)14-16-5-3-6-18(8-16)24(28)29/h2-12H,13-14H2,1H3,(H3,28,29)(H,30,32)
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25n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12401
PNG
(1-[(4-Chloro-phenylcarbamoyl)-methyl]-3-cyano-7-me...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(C#N)c2cccc(C)c2n1CC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C27H30ClN5O2/c1-17(2)32-13-11-21(12-14-32)31-27(35)26-23(15-29)22-6-4-5-18(3)25(22)33(26)16-24(34)30-20-9-7-19(28)8-10-20/h4-10,17,21H,11-14,16H2,1-3H3,(H,30,34)(H,31,35)
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26n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12394
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(-c2ccccc2)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C31H31ClN4O2S/c1-20(2)35-16-14-22(15-17-35)33-31(37)30-29(21-8-4-3-5-9-21)24-10-6-7-11-25(24)36(30)19-23-18-26(38-34-23)27-12-13-28(32)39-27/h3-13,18,20,22H,14-17,19H2,1-2H3,(H,33,37)
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55n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12398
PNG
(1-(3-Methoxy-benzyl)-1H-indole-2-carboxylic acid (...)
Show SMILES COc1cccc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)C(C)C)c1
Show InChI InChI=1S/C25H31N3O2/c1-18(2)27-13-11-21(12-14-27)26-25(29)24-16-20-8-4-5-10-23(20)28(24)17-19-7-6-9-22(15-19)30-3/h4-10,15-16,18,21H,11-14,17H2,1-3H3,(H,26,29)
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89n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12399
PNG
(2-Carboxyindole Scaffold 44 | 3-Cyano-1-(3-methoxy...)
Show SMILES COc1cccc(Cn2c(C(=O)NC3CCN(CC3)C(C)C)c(C#N)c3cccc(C)c23)c1
Show InChI InChI=1S/C27H32N4O2/c1-18(2)30-13-11-21(12-14-30)29-27(32)26-24(16-28)23-10-5-7-19(3)25(23)31(26)17-20-8-6-9-22(15-20)33-4/h5-10,15,18,21H,11-14,17H2,1-4H3,(H,29,32)
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406n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12377
PNG
(2-Carboxyindole Scaffold 28 | 5-(benzyloxy)-1-{[5-...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(2)36-14-12-24(13-15-36)34-32(38)28-17-23-16-26(39-20-22-6-4-3-5-7-22)8-9-27(23)37(28)19-25-18-29(40-35-25)30-10-11-31(33)41-30/h3-11,16-18,21,24H,12-15,19-20H2,1-2H3,(H,34,38)
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835 -34.7n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair