Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50465134'   

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))	BDBM50465134 (CHEMBL4279814) Show SMILES CC1(CC1)NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C29H27N5O3/c1-29(15-16-29)32-28(37)25(35)24(19-20-9-4-2-5-10-20)31-27(36)22-13-8-17-30-26(22)34-18-14-23(33-34)21-11-6-3-7-12-21/h2-14,17-18,24H,15-16,19H2,1H3,(H,31,36)(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	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
					More data for this Ligand-Target Pair