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PubMed code 15261269

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
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))
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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PubMed
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))
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))
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))
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))
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))
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))
BDBM15823
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CN1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C23H23ClN4O2S/c1-27-10-8-16(9-11-27)25-23(29)19-12-15-4-2-3-5-18(15)28(19)14-17-13-20(30-26-17)21-6-7-22(24)31-21/h2-7,12-13,16H,8-11,14H2,1H3,(H,25,29)
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40 -42.2n/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))
BDBM15839
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CC(C)N1CC[C@H](C1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C24H25ClN4O2S/c1-15(2)28-10-9-17(13-28)26-24(30)20-11-16-5-3-4-6-19(16)29(20)14-18-12-21(31-27-18)22-7-8-23(25)32-22/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3,(H,26,30)/t17-/m1/s1
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48n/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))
BDBM15825
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CCCN1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H27ClN4O2S/c1-2-11-29-12-9-18(10-13-29)27-25(31)21-14-17-5-3-4-6-20(17)30(21)16-19-15-22(32-28-19)23-7-8-24(26)33-23/h3-8,14-15,18H,2,9-13,16H2,1H3,(H,27,31)
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64 -41.1n/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))
BDBM15845
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NCC2CCN(CC2)c2ccncc2)no1
Show InChI InChI=1S/C28H26ClN5O2S/c29-27-6-5-26(37-27)25-16-21(32-36-25)18-34-23-4-2-1-3-20(23)15-24(34)28(35)31-17-19-9-13-33(14-10-19)22-7-11-30-12-8-22/h1-8,11-12,15-16,19H,9-10,13-14,17-18H2,(H,31,35)
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64n/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))
BDBM15829
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)C2CCCC2)no1
Show InChI InChI=1S/C27H29ClN4O2S/c28-26-10-9-25(35-26)24-16-20(30-34-24)17-32-22-8-4-1-5-18(22)15-23(32)27(33)29-19-11-13-31(14-12-19)21-6-2-3-7-21/h1,4-5,8-10,15-16,19,21H,2-3,6-7,11-14,17H2,(H,29,33)
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71 -40.8n/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))
BDBM15844
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)c2ccncn2)no1
Show InChI InChI=1S/C26H23ClN6O2S/c27-24-6-5-23(36-24)22-14-19(31-35-22)15-33-20-4-2-1-3-17(20)13-21(33)26(34)30-18-8-11-32(12-9-18)25-7-10-28-16-29-25/h1-7,10,13-14,16,18H,8-9,11-12,15H2,(H,30,34)
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95n/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))
BDBM15834
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)C2CCOCC2)no1
Show InChI InChI=1S/C27H29ClN4O3S/c28-26-6-5-25(36-26)24-16-20(30-35-24)17-32-22-4-2-1-3-18(22)15-23(32)27(33)29-19-7-11-31(12-8-19)21-9-13-34-14-10-21/h1-6,15-16,19,21H,7-14,17H2,(H,29,33)
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95 -40.1n/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))
BDBM15838
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CC(C)N1CC[C@@H](C1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C24H25ClN4O2S/c1-15(2)28-10-9-17(13-28)26-24(30)20-11-16-5-3-4-6-19(16)29(20)14-18-12-21(31-27-18)22-7-8-23(25)32-22/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3,(H,26,30)/t17-/m0/s1
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103n/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))
BDBM15830
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)C2CCCCC2)no1
Show InChI InChI=1S/C28H31ClN4O2S/c29-27-11-10-26(36-27)25-17-21(31-35-25)18-33-23-9-5-4-6-19(23)16-24(33)28(34)30-20-12-14-32(15-13-20)22-7-2-1-3-8-22/h4-6,9-11,16-17,20,22H,1-3,7-8,12-15,18H2,(H,30,34)
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106 -39.8n/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))
BDBM15836
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C23H23ClN4O4S2/c1-34(30,31)27-10-8-16(9-11-27)25-23(29)19-12-15-4-2-3-5-18(15)28(19)14-17-13-20(32-26-17)21-6-7-22(24)33-21/h2-7,12-13,16H,8-11,14H2,1H3,(H,25,29)
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125n/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))
BDBM15833
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES OCCN1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C24H25ClN4O3S/c25-23-6-5-22(33-23)21-14-18(27-32-21)15-29-19-4-2-1-3-16(19)13-20(29)24(31)26-17-7-9-28(10-8-17)11-12-30/h1-6,13-14,17,30H,7-12,15H2,(H,26,31)
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131 -39.3n/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))
BDBM15827
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CC(C)CN1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C26H29ClN4O2S/c1-17(2)15-30-11-9-19(10-12-30)28-26(32)22-13-18-5-3-4-6-21(18)31(22)16-20-14-23(33-29-20)24-7-8-25(27)34-24/h3-8,13-14,17,19H,9-12,15-16H2,1-2H3,(H,28,32)
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142 -39.1n/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))
BDBM15832
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CC(C)N1CCC(CNC(=O)c2cc3ccccc3n2Cc2cc(on2)-c2ccc(Cl)s2)CC1
Show InChI InChI=1S/C26H29ClN4O2S/c1-17(2)30-11-9-18(10-12-30)15-28-26(32)22-13-19-5-3-4-6-21(19)31(22)16-20-14-23(33-29-20)24-7-8-25(27)34-24/h3-8,13-14,17-18H,9-12,15-16H2,1-2H3,(H,28,32)
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161 -38.8n/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))
BDBM15826
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CCC(CC)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C27H31ClN4O2S/c1-3-21(4-2)31-13-11-19(12-14-31)29-27(33)23-15-18-7-5-6-8-22(18)32(23)17-20-16-24(34-30-20)25-9-10-26(28)35-25/h5-10,15-16,19,21H,3-4,11-14,17H2,1-2H3,(H,29,33)
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220 -38.0n/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))
BDBM15840
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CC(C)N1CC(C1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C23H23ClN4O2S/c1-14(2)27-11-17(12-27)25-23(29)19-9-15-5-3-4-6-18(15)28(19)13-16-10-20(30-26-16)21-7-8-22(24)31-21/h3-10,14,17H,11-13H2,1-2H3,(H,25,29)
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225n/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))
BDBM15841
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CC(C)CN1CC(C1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C24H25ClN4O2S/c1-15(2)11-28-12-18(13-28)26-24(30)20-9-16-5-3-4-6-19(16)29(20)14-17-10-21(31-27-17)22-7-8-23(25)32-22/h3-10,15,18H,11-14H2,1-2H3,(H,26,30)
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345n/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))
BDBM15835
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C24H23ClN4O3S/c1-15(30)28-10-8-17(9-11-28)26-24(31)20-12-16-4-2-3-5-19(16)29(20)14-18-13-21(32-27-18)22-6-7-23(25)33-22/h2-7,12-13,17H,8-11,14H2,1H3,(H,26,31)
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763 -34.9n/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: 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))
BDBM15842
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CC(C)N1CC(CNC(=O)c2cc3ccccc3n2Cc2cc(on2)-c2ccc(Cl)s2)C1
Show InChI InChI=1S/C24H25ClN4O2S/c1-15(2)28-12-16(13-28)11-26-24(30)20-9-17-5-3-4-6-19(17)29(20)14-18-10-21(31-27-18)22-7-8-23(25)32-22/h3-10,15-16H,11-14H2,1-2H3,(H,26,30)
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839n/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))
BDBM15837
PNG
(2-carboxyindole-based inhibitor 22 | N-(1-carbamoy...)
Show SMILES NC(=O)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C23H22ClN5O3S/c24-21-6-5-20(33-21)19-12-16(27-32-19)13-29-17-4-2-1-3-14(17)11-18(29)22(30)26-15-7-9-28(10-8-15)23(25)31/h1-6,11-12,15H,7-10,13H2,(H2,25,31)(H,26,30)
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1.08E+3n/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
Thrombin and 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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2.76E+3 -31.7n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


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))
BDBM15847
PNG
(2-carboxyindole-based inhibitor 32 | 5-(5-chloroth...)
Show SMILES Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)N2CCC(CC2)Oc2ccncc2)no1
Show InChI InChI=1S/C27H23ClN4O3S/c28-26-6-5-25(36-26)24-16-19(30-35-24)17-32-22-4-2-1-3-18(22)15-23(32)27(33)31-13-9-21(10-14-31)34-20-7-11-29-12-8-20/h1-8,11-12,15-16,21H,9-10,13-14,17H2
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2.90E+3n/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))
BDBM15831
PNG
(1-[(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]...)
Show SMILES CC(C)NC1CCN(CC1)C(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H27ClN4O2S/c1-16(2)27-18-9-11-29(12-10-18)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/h3-8,13-14,16,18,27H,9-12,15H2,1-2H3
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3.00E+3 -31.5n/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...


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
Thrombin and 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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3.16E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


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
Thrombin and 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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8.22E+3 -29.0n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM15823
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CN1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C23H23ClN4O2S/c1-27-10-8-16(9-11-27)25-23(29)19-12-15-4-2-3-5-18(15)28(19)14-17-13-20(30-26-17)21-6-7-22(24)31-21/h2-7,12-13,16H,8-11,14H2,1H3,(H,25,29)
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>1.00E+4>-28.5n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


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
Thrombin and 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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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM15839
PNG
(1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]meth...)
Show SMILES CC(C)N1CC[C@H](C1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C24H25ClN4O2S/c1-15(2)28-10-9-17(13-28)26-24(30)20-11-16-5-3-4-6-19(16)29(20)14-18-12-21(31-27-18)22-7-8-23(25)32-22/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3,(H,26,30)/t17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


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
Thrombin and 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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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


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
Thrombin and 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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>1.00E+4>-28.5n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


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
* indicates data uncertainty>20%