Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50404506'   

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))	BDBM50404506 (CHEMBL355622) Show SMILES CCCOC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C21H31N5O4S/c1-4-14-30-20(27)17(10-7-13-24-21(22)23)25-31(28,29)19-12-6-8-15-16(19)9-5-11-18(15)26(2)3/h5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1-3H3,(H4,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	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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