Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50465125'   

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))	BDBM50465125 (CHEMBL4286633) Show SMILES CONC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C26H23N5O4/c1-35-30-26(34)23(32)22(17-18-9-4-2-5-10-18)28-25(33)20-13-8-15-27-24(20)31-16-14-21(29-31)19-11-6-3-7-12-19/h2-16,22H,17H2,1H3,(H,28,33)(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay				ACS Med Chem Lett 9: 221-226 (2018) Article DOI: 10.1021/acsmedchemlett.7b00494 BindingDB Entry DOI: 10.7270/Q23J3GNH
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