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Compile Data Set for Download or QSAR

Found 1273 hits with Last Name = 'nazare' and Initial = 'm'   
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))
BDBM15867
PNG
(1-{[(5-chloropyridin-2-yl)carbamoyl]methyl}-N-[1-(...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H28ClN5O2/c1-16(2)29-11-9-19(10-12-29)27-24(32)21-13-17-5-3-4-6-20(17)30(21)15-23(31)28-22-8-7-18(25)14-26-22/h3-8,13-14,16,19H,9-12,15H2,1-2H3,(H,27,32)(H,26,28,31)
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1 -51.4n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



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...


Bioorg Med Chem Lett 14: 4191-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.020
BindingDB Entry DOI: 10.7270/Q22805WQ
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))
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))
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))
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))
BDBM15862
PNG
(1-{[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]meth...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(no1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)22-13-17-5-3-4-6-21(17)30(22)15-19-14-20(28-32-19)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 Deutschland GmbH



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...


Bioorg Med Chem Lett 14: 4191-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.020
BindingDB Entry DOI: 10.7270/Q22805WQ
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 Deutschland GmbH



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...


Bioorg Med Chem Lett 14: 4191-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.020
BindingDB Entry DOI: 10.7270/Q22805WQ
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))
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 Deutschland GmbH



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...


Bioorg Med Chem Lett 14: 4197-201 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q2610XKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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))
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))
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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3 -48.6n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



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...


Bioorg Med Chem Lett 14: 4191-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.020
BindingDB Entry DOI: 10.7270/Q22805WQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM15863
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-y...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1nnc(s1)-c1ccc(Cl)s1
Show InChI InChI=1S/C24H26ClN5OS2/c1-15(2)29-11-9-17(10-12-29)26-23(31)19-13-16-5-3-4-6-18(16)30(19)14-22-27-28-24(33-22)20-7-8-21(25)32-20/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,26,31)
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4 -47.9n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



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...


Bioorg Med Chem Lett 14: 4191-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.020
BindingDB Entry DOI: 10.7270/Q22805WQ
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))
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))
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))
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))
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))
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))
BDBM13662
PNG
(3-Oxybenzamide 48 | 4-chloro-3-[2-(2,4-dichlorophe...)
Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H28Cl3N3O3/c1-35-24-14-20(15-25(26(24)30)36-13-8-19-2-3-21(28)16-23(19)29)27(34)32-17-18-6-11-33(12-7-18)22-4-9-31-10-5-22/h2-5,9-10,14-16,18H,6-8,11-13,17H2,1H3,(H,32,34)
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10n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



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: 3290-312 (2005)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q28C9THZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM15848
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NC2CN(C2)c2ccncc2)no1
Show InChI InChI=1S/C25H20ClN5O2S/c26-24-6-5-23(34-24)22-12-17(29-33-22)15-31-20-4-2-1-3-16(20)11-21(31)25(32)28-18-13-30(14-18)19-7-9-27-10-8-19/h1-12,18H,13-15H2,(H,28,32)
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12n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



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...


Bioorg Med Chem Lett 14: 4197-201 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q2610XKM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13668
PNG
(3-Oxybenzamide 54 | 4-chloro-3-[2-(4-chlorophenyl)...)
Show SMILES Clc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C26H27Cl2N3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32)
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13n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



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: 3290-312 (2005)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q28C9THZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13663
PNG
(3-Oxybenzamide 49 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1C)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C28H31Cl2N3O3/c1-19-26(35-2)15-22(16-27(19)36-14-9-21-3-4-23(29)17-25(21)30)28(34)32-18-20-7-12-33(13-8-20)24-5-10-31-11-6-24/h3-6,10-11,15-17,20H,7-9,12-14,18H2,1-2H3,(H,32,34)
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13n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



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: 3290-312 (2005)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q28C9THZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM15843
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)c2ccncc2)no1
Show InChI InChI=1S/C27H24ClN5O2S/c28-26-6-5-25(36-26)24-16-20(31-35-24)17-33-22-4-2-1-3-18(22)15-23(33)27(34)30-19-9-13-32(14-10-19)21-7-11-29-12-8-21/h1-8,11-12,15-16,19H,9-10,13-14,17H2,(H,30,34)
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14n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



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...


Bioorg Med Chem Lett 14: 4197-201 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q2610XKM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM15865
PNG
(1-{[(5-chlorothiophen-2-yl)carbamoyl]methyl}-N-[1-...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)s1
Show InChI InChI=1S/C23H27ClN4O2S/c1-15(2)27-11-9-17(10-12-27)25-23(30)19-13-16-5-3-4-6-18(16)28(19)14-21(29)26-22-8-7-20(24)31-22/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,25,30)(H,26,29)
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15 -44.7n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



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...


Bioorg Med Chem Lett 14: 4191-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.020
BindingDB Entry DOI: 10.7270/Q22805WQ
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))
BDBM15846
PNG
(2-carboxyindole-based inhibitor 31 | N-{1-[(1-{[5-...)
Show SMILES Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)N2CCC(CC2)Nc2ccncc2)no1
Show InChI InChI=1S/C27H24ClN5O2S/c28-26-6-5-25(36-26)24-16-21(31-35-24)17-33-22-4-2-1-3-18(22)15-23(33)27(34)32-13-9-20(10-14-32)30-19-7-11-29-12-8-19/h1-8,11-12,15-16,20H,9-10,13-14,17H2,(H,29,30)
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18n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



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...


Bioorg Med Chem Lett 14: 4197-201 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q2610XKM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM15824
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CCN1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C24H25ClN4O2S/c1-2-28-11-9-17(10-12-28)26-24(30)20-13-16-5-3-4-6-19(16)29(20)15-18-14-21(31-27-18)22-7-8-23(25)32-22/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,26,30)
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18 -44.2n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



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...


Bioorg Med Chem Lett 14: 4197-201 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q2610XKM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13664
PNG
(3-Oxybenzamide 50 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H29Cl2N3O3/c1-34-25-5-3-21(16-26(25)35-15-10-20-2-4-22(28)17-24(20)29)27(33)31-18-19-8-13-32(14-9-19)23-6-11-30-12-7-23/h2-7,11-12,16-17,19H,8-10,13-15,18H2,1H3,(H,31,33)
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18n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



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: 3290-312 (2005)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q28C9THZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM13615
PNG
(3-Oxybenzamide 1 | 4-chloro-3-[2-(5-chloropyridin-...)
Show SMILES Clc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)nc1
Show InChI InChI=1S/C25H26Cl2N4O2/c26-20-2-3-21(29-17-20)9-14-33-24-15-19(1-4-23(24)27)25(32)30-16-18-7-12-31(13-8-18)22-5-10-28-11-6-22/h1-6,10-11,15,17-18H,7-9,12-14,16H2,(H,30,32)
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20 -43.9n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



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: 3290-312 (2005)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q28C9THZ
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))
BDBM13659
PNG
(3-Oxybenzamide 45 | 4-bromo-3-[2-(2,4-dichlorophen...)
Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1Br)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H28BrCl2N3O3/c1-35-24-14-20(15-25(26(24)28)36-13-8-19-2-3-21(29)16-23(19)30)27(34)32-17-18-6-11-33(12-7-18)22-4-9-31-10-5-22/h2-5,9-10,14-16,18H,6-8,11-13,17H2,1H3,(H,32,34)
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20n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



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: 3290-312 (2005)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q28C9THZ
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))
BDBM13670
PNG
(3-Oxybenzamide 56 | 4-chloro-3-[2-(4-chlorophenyl)...)
Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2)c1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H29Cl2N3O3/c1-34-24-16-21(17-25(26(24)29)35-15-10-19-2-4-22(28)5-3-19)27(33)31-18-20-8-13-32(14-9-20)23-6-11-30-12-7-23/h2-7,11-12,16-17,20H,8-10,13-15,18H2,1H3,(H,31,33)
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25n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



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: 3290-312 (2005)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q28C9THZ
More data for this
Ligand-Target Pair
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))
BDBM15828
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)C2CC2)no1
Show InChI InChI=1S/C25H25ClN4O2S/c26-24-8-7-23(33-24)22-14-18(28-32-22)15-30-20-4-2-1-3-16(20)13-21(30)25(31)27-17-9-11-29(12-10-17)19-5-6-19/h1-4,7-8,13-14,17,19H,5-6,9-12,15H2,(H,27,31)
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27 -43.2n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



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...


Bioorg Med Chem Lett 14: 4197-201 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q2610XKM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13652
PNG
(3-Oxybenzamide 38 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES CSc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H29Cl2N3O2S/c1-35-26-5-3-21(16-25(26)34-15-10-20-2-4-22(28)17-24(20)29)27(33)31-18-19-8-13-32(14-9-19)23-6-11-30-12-7-23/h2-7,11-12,16-17,19H,8-10,13-15,18H2,1H3,(H,31,33)
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28n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



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: 3290-312 (2005)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q28C9THZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13645
PNG
(3-Oxybenzamide 31 | 4-amino-3-[2-(2,4-dichlorophen...)
Show SMILES Nc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H28Cl2N4O2/c27-21-3-1-19(23(28)16-21)9-14-34-25-15-20(2-4-24(25)29)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17,29H2,(H,31,33)
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29n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



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: 3290-312 (2005)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q28C9THZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13619
PNG
(3-Oxybenzamide 5 | 3-[2-(4-bromophenyl)ethoxy]-4-c...)
Show SMILES Clc1ccc(cc1OCCc1ccc(Br)cc1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H27BrClN3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32)
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36 -42.5n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



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: 3290-312 (2005)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q28C9THZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13618
PNG
(3-Oxybenzamide 4 | 3-[2-(5-chloropyridin-2-yl)etho...)
Show SMILES Fc1ccc(cc1OCCc1ccc(Cl)cn1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C25H26ClFN4O2/c26-20-2-3-21(29-17-20)9-14-33-24-15-19(1-4-23(24)27)25(32)30-16-18-7-12-31(13-8-18)22-5-10-28-11-6-22/h1-6,10-11,15,17-18H,7-9,12-14,16H2,(H,30,32)
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37 -42.4n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



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: 3290-312 (2005)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q28C9THZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13642
PNG
(3-Oxybenzamide 28 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES Cc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H29Cl2N3O2/c1-19-2-3-22(16-26(19)34-15-10-21-4-5-23(28)17-25(21)29)27(33)31-18-20-8-13-32(14-9-20)24-6-11-30-12-7-24/h2-7,11-12,16-17,20H,8-10,13-15,18H2,1H3,(H,31,33)
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37n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



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: 3290-312 (2005)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q28C9THZ
More data for this
Ligand-Target Pair
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