Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50358137'   

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 (Rattus norvegicus)	BDBM50358137 (CHEMBL1923960) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| Show InChI InChI=1S/C20H23ClN2O4S/c1-14(2)19(23-28(26,27)18-10-8-16(21)9-11-18)20(25)22-17(13-24)12-15-6-4-3-5-7-15/h3-11,13-14,17,19,23H,12H2,1-2H3,(H,22,25)/t17-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
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