Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50017917'   

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))	BDBM50017917 (CHEMBL3289032) Show SMILES NCCC(=O)N1CCC(CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C29H33N7O4/c30-12-9-26(37)36-13-10-20(11-14-36)29(38)35-21-15-24(39-22-5-1-18(2-6-22)27(31)32)17-25(16-21)40-23-7-3-19(4-8-23)28(33)34/h1-8,15-17,20H,9-14,30H2,(H3,31,32)(H3,33,34)(H,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of human thrombin using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide				Bioorg Med Chem 22: 3187-203 (2014) Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD
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