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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 = 'BDBM13677'   
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))
BDBM13677
PNG
(3-Oxybenzamide 63 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)C(C)C
Show InChI InChI=1S/C25H32Cl2N2O3/c1-17(2)29-11-8-18(9-12-29)16-28-25(30)20-5-7-23(31-3)24(14-20)32-13-10-19-4-6-21(26)15-22(19)27/h4-7,14-15,17-18H,8-13,16H2,1-3H3,(H,28,30)
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Article
PubMed
650n/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))
BDBM13677
PNG
(3-Oxybenzamide 63 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)C(C)C
Show InChI InChI=1S/C25H32Cl2N2O3/c1-17(2)29-11-8-18(9-12-29)16-28-25(30)20-5-7-23(31-3)24(14-20)32-13-10-19-4-6-21(26)15-22(19)27/h4-7,14-15,17-18H,8-13,16H2,1-3H3,(H,28,30)
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
650n/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