Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50187500'   

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)	BDBM50187500 (CHEMBL3828526) Show SMILES CCOC(=O)c1c2CCCCc2sc1\N=c1/scc(-c2ccccc2)n1CC=C Show InChI InChI=1S/C23H24N2O2S2/c1-3-14-25-18(16-10-6-5-7-11-16)15-28-23(25)24-21-20(22(26)27-4-2)17-12-8-9-13-19(17)29-21/h3,5-7,10-11,15H,1,4,8-9,12-14H2,2H3/b24-23-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alagoas Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry				Bioorg Med Chem 24: 4228-4240 (2016) Article DOI: 10.1016/j.bmc.2016.07.013 BindingDB Entry DOI: 10.7270/Q2CZ393W
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