Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50295146'   

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
Cruzipain (Trypanosoma cruzi)	BDBM50295146 (5-(2-aminophenyl)-N-((1R,2S)-2-hydroxy-2,3-dihydro...) Show SMILES Nc1ccccc1-c1nnc(o1)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C18H16N4O3/c19-13-8-4-3-7-12(13)17-21-22-18(25-17)16(24)20-15-11-6-2-1-5-10(11)9-14(15)23/h1-8,14-15,23H,9,19H2,(H,20,24)/t14-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition				J Med Chem 52: 5005-8 (2010) Article DOI: 10.1021/jm9009229 BindingDB Entry DOI: 10.7270/Q24J0F50
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