Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50157209'   

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)	BDBM50157209 ((1E)-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one t...) Show SMILES NC(=S)NN=C(CCc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C16H15Cl2N3S/c17-13-8-7-12(10-14(13)18)15(20-21-16(19)22)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H3,19,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against cruzain of Trypanosoma cruzi				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
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