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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 = 'BDBM13676'   
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))
BDBM13676
PNG
(1-({3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphen...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C26H27Cl2N3O3/c1-33-24-5-3-21(16-25(24)34-15-8-20-2-4-22(27)17-23(20)28)26(32)31-13-11-30(12-14-31)18-19-6-9-29-10-7-19/h2-7,9-10,16-17H,8,11-15,18H2,1H3
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Article
PubMed
600n/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))
BDBM13676
PNG
(1-({3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphen...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C26H27Cl2N3O3/c1-33-24-5-3-21(16-25(24)34-15-8-20-2-4-22(27)17-23(20)28)26(32)31-13-11-30(12-14-31)18-19-6-9-29-10-7-19/h2-7,9-10,16-17H,8,11-15,18H2,1H3
PDB
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UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
600n/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