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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM13634'   
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))
BDBM13634
PNG
(3-Oxybenzamide 20 | 3-[2-(3-chlorophenyl)ethoxy]-4...)
Show SMILES Fc1ccc(cc1OCCc1cccc(Cl)c1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H27ClFN3O2/c27-22-3-1-2-19(16-22)10-15-33-25-17-21(4-5-24(25)28)26(32)30-18-20-8-13-31(14-9-20)23-6-11-29-12-7-23/h1-7,11-12,16-17,20H,8-10,13-15,18H2,(H,30,32)
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Article
PubMed
631n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13634
PNG
(3-Oxybenzamide 20 | 3-[2-(3-chlorophenyl)ethoxy]-4...)
Show SMILES Fc1ccc(cc1OCCc1cccc(Cl)c1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H27ClFN3O2/c27-22-3-1-2-19(16-22)10-15-33-25-17-21(4-5-24(25)28)26(32)30-18-20-8-13-31(14-9-20)23-6-11-29-12-7-23/h1-7,11-12,16-17,20H,8-10,13-15,18H2,(H,30,32)
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712n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13634
PNG
(3-Oxybenzamide 20 | 3-[2-(3-chlorophenyl)ethoxy]-4...)
Show SMILES Fc1ccc(cc1OCCc1cccc(Cl)c1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H27ClFN3O2/c27-22-3-1-2-19(16-22)10-15-33-25-17-21(4-5-24(25)28)26(32)30-18-20-8-13-31(14-9-20)23-6-11-29-12-7-23/h1-7,11-12,16-17,20H,8-10,13-15,18H2,(H,30,32)
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Article
PubMed
712n/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