Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50090243'   

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))	BDBM50090243 (6-(2-Hydroxy-ethyl)-3,3-dimethyl-1,2,3,4-tetrahydr...) Show SMILES CC1(C)CNc2c(C1)cc(CCO)cc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C30H39FN4O4S2/c1-30(2)18-22-15-21(10-14-36)16-26(28(22)32-19-30)41(38,39)34-24(17-27-33-23-5-3-4-6-25(23)40-27)29(37)35-12-8-20(7-11-31)9-13-35/h3-6,15-16,20,24,32,34,36H,7-14,17-19H2,1-2H3/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	39	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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