Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin L1' and Ligand = 'BDBM50300778'   

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 L1 (Homo sapiens (Human))	BDBM50300778 (6-((2',6'-dimethylbiphenyl-3-yl)methylamino)-9-(3-...) Show SMILES Cc1cccc(C)c1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1 Show InChI InChI=1S/C24H24N6O/c1-16-6-3-7-17(2)21(16)19-9-4-8-18(12-19)14-26-23-22-24(29-20(13-25)28-23)30(15-27-22)10-5-11-31/h3-4,6-9,12,15,31H,5,10-11,14H2,1-2H3,(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin L				J Med Chem 52: 6489-93 (2009) Article DOI: 10.1021/jm900908p BindingDB Entry DOI: 10.7270/Q2K074BP
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