Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cysteine protease' and Ligand = 'BDBM50269331'   

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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50269331 (CHEMBL3815015) Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCCCCNc3c4CCCCc4nc4ccc(OC)cc34)c2c1 Show InChI InChI=1S/C37H48N4O2/c1-42-26-18-20-34-30(24-26)36(28-14-8-10-16-32(28)40-34)38-22-12-6-4-3-5-7-13-23-39-37-29-15-9-11-17-33(29)41-35-21-19-27(43-2)25-31(35)37/h18-21,24-25H,3-17,22-23H2,1-2H3,(H,38,40)(H,39,41)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Pharmacy and Food Chemistry, Julius-Maximilians-University of Würzburg, Am Hubland, 97074 Würzburg, Germany. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate measured for 10 mins by spectrofluorometric analysis				Bioorg Med Chem 25: 4526-4531 (2017) Article DOI: 10.1016/j.bmc.2017.06.051 BindingDB Entry DOI: 10.7270/Q2KK9F9K
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