Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50069057'   

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))	BDBM50069057 ((S)-3-(4-Aminomethyl-phenyl)-N,N-dimethyl-2-(napht...) Show SMILES CN(C)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H25N3O3S/c1-25(2)22(26)21(13-16-7-9-17(15-23)10-8-16)24-29(27,28)20-12-11-18-5-3-4-6-19(18)14-20/h3-12,14,21,24H,13,15,23H2,1-2H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin				Bioorg Med Chem Lett 8: 735-8 (1999) BindingDB Entry DOI: 10.7270/Q2668C95
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