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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 = 'BDBM13654'   
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))
BDBM13654
PNG
(3-Oxybenzamide 40 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES CC(C)Oc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C29H33Cl2N3O3/c1-20(2)37-27-6-4-23(17-28(27)36-16-11-22-3-5-24(30)18-26(22)31)29(35)33-19-21-9-14-34(15-10-21)25-7-12-32-13-8-25/h3-8,12-13,17-18,20-21H,9-11,14-16,19H2,1-2H3,(H,33,35)
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Article
PubMed
233n/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))
BDBM13654
PNG
(3-Oxybenzamide 40 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES CC(C)Oc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C29H33Cl2N3O3/c1-20(2)37-27-6-4-23(17-28(27)36-16-11-22-3-5-24(30)18-26(22)31)29(35)33-19-21-9-14-34(15-10-21)25-7-12-32-13-8-25/h3-8,12-13,17-18,20-21H,9-11,14-16,19H2,1-2H3,(H,33,35)
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
233n/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