Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50306594'   

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)	BDBM50306594 (3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...) Show SMILES CC(C)[C@](C)(NCc1ccc2ncccc2c1)c1cn(nn1)C(C)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C27H27F4N5O2/c1-15(2)27(4,33-12-17-7-8-21-18(10-17)6-5-9-32-21)23-13-36(35-34-23)16(3)22(37)14-38-26-24(30)19(28)11-20(29)25(26)31/h5-11,13,15-16,33H,12,14H2,1-4H3/t16?,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.76E+3	n/a	n/a	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				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
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