Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50543553'   

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 (Sus scrofa (pig))	BDBM50543553 (CHEMBL4640485) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)\N=N\c1ccccc1)C=O |r| Show InChI InChI=1S/C23H28N4O4S/c1-17(2)15-20(16-28)24-23(29)22-9-6-14-27(22)32(30,31)21-12-10-19(11-13-21)26-25-18-7-4-3-5-8-18/h3-5,7-8,10-13,16-17,20,22H,6,9,14-15H2,1-2H3,(H,24,29)/b26-25+/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	273	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 Inhibition of mu-calpain in porcine erythrocyte using Suc-Leu-Tyr-AMC as substrate by microtiter plate assay based Dixon plot analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115433 BindingDB Entry DOI: 10.7270/Q2JM2F55
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