Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50053851'   

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
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50053851 ((3-Methyl-1-{1-[3-(3,4,4a,8a-tetrahydro-2H-quinoli...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCCC2C=CC=CC12 |c:36,38| Show InChI InChI=1S/C31H44N4O5/c1-4-25(28(36)30(38)32-17-11-19-35-18-10-15-24-14-8-9-16-27(24)35)33-29(37)26(20-22(2)3)34-31(39)40-21-23-12-6-5-7-13-23/h5-9,12-14,16,22,24-27H,4,10-11,15,17-21H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of the cysteine protease human Calpain 1				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair