Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50404551'   

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 (Bos taurus (Bovine))	BDBM50404551 (CHEMBL168727) Show SMILES NC(=N)NCCCC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCCCCC1 Show InChI InChI=1S/C22H31N5O3S/c23-22(24)25-13-7-10-20(21(28)27-14-5-1-2-6-15-27)26-31(29,30)19-12-11-17-8-3-4-9-18(17)16-19/h3-4,8-9,11-12,16,20,26H,1-2,5-7,10,13-15H2,(H4,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Bovine thrombin concentration at which clotting time was prolonged 2x over the control.				J Med Chem 23: 830-6 (1980) BindingDB Entry DOI: 10.7270/Q2FQ9XT7
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