Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain small subunit 1' and Ligand = 'BDBM50137938'   

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 small subunit 1 (Sus scrofa)	BDBM50137938 (CHEMBL177469 | {(S)-1-[2-(N'-Benzyl-hydrazinocarbo...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NNCc1ccccc1 Show InChI InChI=1S/C31H36N4O5/c1-22(2)18-27(34-31(39)40-21-25-16-10-5-11-17-25)29(37)33-26(19-23-12-6-3-7-13-23)28(36)30(38)35-32-20-24-14-8-4-9-15-24/h3-17,22,26-27,32H,18-21H2,1-2H3,(H,33,37)(H,34,39)(H,35,38)/t26-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Binding affinity of the compound against porcine erythrocyte calpain I was determined				J Med Chem 47: 72-9 (2003) Article DOI: 10.1021/jm0301336 BindingDB Entry DOI: 10.7270/Q2ZP45KD
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