Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50233037'   

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
Cathepsin B (Homo sapiens (Human))	BDBM50233037 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C#N)(C1CCC1)C1CCC1 Show InChI InChI=1S/C31H38F3N3O3S/c1-20(2)18-27(29(38)37-30(19-35,24-6-4-7-24)25-8-5-9-25)36-28(31(32,33)34)23-12-10-21(11-13-23)22-14-16-26(17-15-22)41(3,39)40/h10-17,20,24-25,27-28,36H,4-9,18H2,1-3H3,(H,37,38)/t27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of cathepsin B				Bioorg Med Chem Lett 18: 923-8 (2008) Article DOI: 10.1016/j.bmcl.2007.12.047 BindingDB Entry DOI: 10.7270/Q21J9BM2
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