Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50080476'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50080476 (3-[(S)-3-(7-Chloro-naphthalene-2-sulfonylamino)-2-...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccc(Cl)cc4c3)C2=O)c1 Show InChI InChI=1S/C22H21ClN4O3S/c23-18-6-4-15-5-7-19(12-17(15)11-18)31(29,30)26-20-8-9-27(22(20)28)13-14-2-1-3-16(10-14)21(24)25/h1-7,10-12,20,26H,8-9,13H2,(H3,24,25)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human thrombin				J Med Chem 42: 3557-71 (1999) Article DOI: 10.1021/jm990040h BindingDB Entry DOI: 10.7270/Q2M04640
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