Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50126126'   

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)	BDBM50126126 (CHEMBL3628942) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccn2nccc2n1)C(C)C |r| Show InChI InChI=1S/C27H31F4N7O2/c1-5-6-7-20(21(39)15-40-26-24(30)18(28)12-19(29)25(26)31)38-14-22(35-36-38)27(4,16(2)3)32-13-17-9-11-37-23(34-17)8-10-33-37/h8-12,14,16,20,32H,5-7,13,15H2,1-4H3/t20?,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay				Bioorg Med Chem Lett 25: 4834-7 (2015) Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR
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