Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50090239'   

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))	BDBM50090239 ((8-{(S)-1-Benzothiazol-2-ylmethyl-2-[4-(2-fluoro-e...) Show SMILES CC1(C)CNc2c(C1)cc(CC(O)=O)cc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C30H37FN4O5S2/c1-30(2)17-21-13-20(15-27(36)37)14-25(28(21)32-18-30)42(39,40)34-23(16-26-33-22-5-3-4-6-24(22)41-26)29(38)35-11-8-19(7-10-31)9-12-35/h3-6,13-14,19,23,32,34H,7-12,15-18H2,1-2H3,(H,36,37)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Evaluated for the binding affinity against thrombin				Bioorg Med Chem Lett 10: 1567-70 (2000) BindingDB Entry DOI: 10.7270/Q2RX9BBS
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