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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50126694'   
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))		BDBM50126694
PNG
(4-Fluoro-N-{3-[2-(pyridin-4-ylamino)-ethoxy]-pheny...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cccc(OCCNc2ccncc2)c1
Show InChI InChI=1S/C19H18FN3O3S/c20-15-4-6-19(7-5-15)27(24,25)23-17-2-1-3-18(14-17)26-13-12-22-16-8-10-21-11-9-16/h1-11,14,23H,12-13H2,(H,21,22)
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Article
PubMed
 316n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.

J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair