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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM13666'   
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))
BDBM13666
PNG
(3-Oxybenzamide 52 | 3-[2-(5-chloropyridin-2-yl)eth...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cn1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H29ClN4O3/c1-33-24-5-2-20(16-25(24)34-15-10-22-4-3-21(27)18-29-22)26(32)30-17-19-8-13-31(14-9-19)23-6-11-28-12-7-23/h2-7,11-12,16,18-19H,8-10,13-15,17H2,1H3,(H,30,32)
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Article
PubMed
54n/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))
BDBM13666
PNG
(3-Oxybenzamide 52 | 3-[2-(5-chloropyridin-2-yl)eth...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cn1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H29ClN4O3/c1-33-24-5-2-20(16-25(24)34-15-10-22-4-3-21(27)18-29-22)26(32)30-17-19-8-13-31(14-9-19)23-6-11-28-12-7-23/h2-7,11-12,16,18-19H,8-10,13-15,17H2,1H3,(H,30,32)
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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
54n/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