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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 = 'BDBM50228939'   
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))
BDBM50228939
PNG
((E)-2-(6-(3-(2-(5-chlorothiophen-2-yl)vinylsulfona...)
Show SMILES CN(C)C(=O)c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |w:20.22|
Show InChI InChI=1S/C24H23ClN4O4S2/c1-28(2)23(30)19-6-4-3-5-18(19)16-7-10-22(26-15-16)29-13-11-20(24(29)31)27-35(32,33)14-12-17-8-9-21(25)34-17/h3-10,12,14-15,20,27H,11,13H2,1-2H3/b14-12+
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PC cid
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Article
PubMed
11.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228939
PNG
((E)-2-(6-(3-(2-(5-chlorothiophen-2-yl)vinylsulfona...)
Show SMILES CN(C)C(=O)c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |w:20.22|
Show InChI InChI=1S/C24H23ClN4O4S2/c1-28(2)23(30)19-6-4-3-5-18(19)16-7-10-22(26-15-16)29-13-11-20(24(29)31)27-35(32,33)14-12-17-8-9-21(25)34-17/h3-10,12,14-15,20,27H,11,13H2,1-2H3/b14-12+
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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00164
BindingDB Entry DOI: 10.7270/Q24X5CTC
More data for this
Ligand-Target Pair