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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50194735'   
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
Prothrombin


(Homo sapiens (Human))		BDBM50194735
PNG
(CHEMBL215961 | diphenyl 1-[(N-p-cyanobenzenesulfon...)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)c1ccc(cc1)C#N)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
Show InChI InChI=1S/C34H36N7O8PS/c1-23(38-33(44)30(22-42)41-51(46,47)29-18-14-25(21-35)15-19-29)32(43)40-31(20-24-12-16-26(17-13-24)39-34(36)37)50(45,48-27-8-4-2-5-9-27)49-28-10-6-3-7-11-28/h2-19,23,30-31,41-42H,20,22H2,1H3,(H,38,44)(H,40,43)(H4,36,37,39)/t23-,30+,31?/m0/s1
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Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human thrombin

J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair