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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 = 'BDBM13650'   
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))
BDBM13650
PNG
(3-Oxybenzamide 36 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES NC(=O)c1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-21-3-1-19(24(29)16-21)9-14-36-25-15-20(2-4-23(25)26(30)34)27(35)32-17-18-7-12-33(13-8-18)22-5-10-31-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17H2,(H2,30,34)(H,32,35)
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Article
PubMed
588n/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))
BDBM13650
PNG
(3-Oxybenzamide 36 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES NC(=O)c1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-21-3-1-19(24(29)16-21)9-14-36-25-15-20(2-4-23(25)26(30)34)27(35)32-17-18-7-12-33(13-8-18)22-5-10-31-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17H2,(H2,30,34)(H,32,35)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


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Article
PubMed
588n/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