Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50404505'   

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))	BDBM50404505 (CHEMBL434874) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(CCCNC(N)=N)C(=O)OC1CCCCC1 Show InChI InChI=1S/C24H35N5O4S/c1-29(2)21-14-6-12-19-18(21)11-7-15-22(19)34(31,32)28-20(13-8-16-27-24(25)26)23(30)33-17-9-4-3-5-10-17/h6-7,11-12,14-15,17,20,28H,3-5,8-10,13,16H2,1-2H3,(H4,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
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