Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50108874'   

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)	BDBM50108874 (CHEMBL351045 | [1-(1-Benzyl-3-tert-butylsulfanyl-2...) Show SMILES CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C Show InChI InChI=1S/C27H37N3O4S/c1-19(2)14-23(30-26(33)34-17-21-12-9-13-28-16-21)25(32)29-22(15-20-10-7-6-8-11-20)24(31)18-35-27(3,4)5/h6-13,16,19,22-23H,14-15,17-18H2,1-5H3,(H,29,32)(H,30,33)/t22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi				J Med Chem 45: 676-84 (2002) BindingDB Entry DOI: 10.7270/Q2ZK5G0V
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