BDBM50227401 (S)-N-(4-(3,4-dimethoxybenzylamino)-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-oxo-1,4-dihydroquinoline-2-carboxamide::CHEMBL253112

SMILES: COc1ccc(CNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)c2nc3ccccc3c(O)c2C)cc1OC

InChI Key: InChIKey=LQNSXPJEKWTUPK-QHCPKHFHSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50227401   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calpain1 (Homo sapiens (Human))	BDBM50227401 ((S)-N-(4-(3,4-dimethoxybenzylamino)-3,4-dioxo-1-ph...) Show SMILES COc1ccc(CNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)c2nc3ccccc3c(O)c2C)cc1OC Show InChI InChI=1S/C30H29N3O6/c1-18-26(32-22-12-8-7-11-21(22)27(18)34)29(36)33-23(15-19-9-5-4-6-10-19)28(35)30(37)31-17-20-13-14-24(38-2)25(16-20)39-3/h4-14,16,23H,15,17H2,1-3H3,(H,31,37)(H,32,34)(H,33,36)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human mu-calpain				Bioorg Med Chem Lett 18: 205-9 (2008) Article DOI: 10.1016/j.bmcl.2007.10.097 BindingDB Entry DOI: 10.7270/Q2CV4HH3
					More data for this Ligand-Target Pair