Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50466126'   

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))	BDBM50466126 (CHEMBL4293865) Show SMILES COCCN\C(=C1\N=CN(CCOC)C1=O)c1[nH]c2ccccc2c1I |c:7| Show InChI InChI=1S/C18H21IN4O3/c1-25-9-7-20-16(17-18(24)23(11-21-17)8-10-26-2)15-14(19)12-5-3-4-6-13(12)22-15/h3-6,11,20,22H,7-10H2,1-2H3/b17-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Alcal£ Curated by ChEMBL					Assay Description Inhibition of calpain (unknown origin) using Suc-LY-AMC as fluorogenic substrate after 60 mins by spectrofluorometric analysis				Eur J Med Chem 157: 946-959 (2018) Article DOI: 10.1016/j.ejmech.2018.08.045 BindingDB Entry DOI: 10.7270/Q29S1TQ2
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