Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-2 catalytic subunit' and Ligand = 'BDBM50053800'   

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-2 catalytic subunit (Homo sapiens (Human))	BDBM50053800 ((1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-2H-q...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCCC2C=CC=CC12 |c:42,44| Show InChI InChI=1S/C36H46N4O5/c1-26(2)23-31(39-36(44)45-25-28-15-7-4-8-16-28)34(42)38-30(24-27-13-5-3-6-14-27)33(41)35(43)37-20-12-22-40-21-11-18-29-17-9-10-19-32(29)40/h3-10,13-17,19,26,29-32H,11-12,18,20-25H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	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 Compound was evaluated for the inhibition of Cysteine protease Calpain 2				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
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