Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cysteine protease' and Ligand = 'BDBM50263633'   

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)	BDBM50263633 (CHEMBL4104507) Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H17ClF4N6O3/c24-16-9-13(1-6-19(16)37-23(26,27)28)10-17(21(36)32-22(12-29)7-8-22)31-20(35)18-11-30-34(33-18)15-4-2-14(25)3-5-15/h1-6,9,11,17H,7-8,10H2,(H,31,35)(H,32,36)/t17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
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