Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50303381'   

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)	BDBM50303381 (CHEMBL567145 | N-benzyl-7-chloro-N-ethyl-3-(phenyl...) Show SMILES CCN(Cc1ccccc1)c1nc2c(nnn2c2ccc(Cl)cc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H20ClN5O2S/c1-2-29(16-17-9-5-3-6-10-17)22-20-15-18(25)13-14-21(20)30-23(26-22)24(27-28-30)33(31,32)19-11-7-4-8-12-19/h3-15H,2,16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Tryapanosom cruzi cruzain by Flexstation microplate spectrofluorometry				J Med Chem 53: 37-51 (2010) Article DOI: 10.1021/jm901070c BindingDB Entry DOI: 10.7270/Q2ZP466W
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