Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50543556'   

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))	BDBM50543556 (CHEMBL4647187) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(\C=C\c2ccccc2)cc1)C(C)C)C(=O)C(N)=O |r| Show InChI InChI=1S/C26H33N3O5S/c1-17(2)16-22(24(30)25(27)31)28-26(32)23(18(3)4)29-35(33,34)21-14-12-20(13-15-21)11-10-19-8-6-5-7-9-19/h5-15,17-18,22-23,29H,16H2,1-4H3,(H2,27,31)(H,28,32)/b11-10+/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	9	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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