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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM12372'   
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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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))
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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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 53: 6243-74 (2010)


Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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)