Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50543554'   

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))	BDBM50543554 (CHEMBL4646991) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)\N=N\c1ccccc1)C(C)C)C(=O)C(N)=O |r| Show InChI InChI=1S/C24H31N5O5S/c1-15(2)14-20(22(30)23(25)31)26-24(32)21(16(3)4)29-35(33,34)19-12-10-18(11-13-19)28-27-17-8-6-5-7-9-17/h5-13,15-16,20-21,29H,14H2,1-4H3,(H2,25,31)(H,26,32)/b28-27+/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	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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