Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50463149'   

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))	BDBM50463149 (CHEMBL4248915) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C22H30N2O6/c1-5-29-20(26)12-11-19(25)16(4)23-21(27)18(13-15(2)3)24-22(28)30-14-17-9-7-6-8-10-17/h6-12,15-16,18H,5,13-14H2,1-4H3,(H,23,27)(H,24,28)/b12-11+/t16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of human cathepsin B using Cbz-Phe-Arg-AMC as substrate				Bioorg Med Chem 26: 4624-4634 (2018) Article DOI: 10.1016/j.bmc.2018.07.015 BindingDB Entry DOI: 10.7270/Q29S1TPM
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