Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50386183'   

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)	BDBM50386183 (CHEMBL507837) Show SMILES Brc1ccc(cc1)C(=O)\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C16H11BrO3/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9H,10H2/b7-1+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos - Farmanguinhos Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Eur J Med Chem 54: 512-21 (2012) Article DOI: 10.1016/j.ejmech.2012.05.041 BindingDB Entry DOI: 10.7270/Q2HM59HT
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