BDBM50227394 (S)-N-(4-(4-methoxybenzylamino)-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-oxo-1,4-dihydroquinoline-2-carboxamide::CHEMBL401985

SMILES: COc1ccc(CNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)c2nc3ccccc3c(O)c2C)cc1

InChI Key: InChIKey=OVKIGFKPHGNQPU-DEOSSOPVSA-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 = 50227394   

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
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50227394 ((S)-N-(4-(4-methoxybenzylamino)-3,4-dioxo-1-phenyl...) Show SMILES COc1ccc(CNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)c2nc3ccccc3c(O)c2C)cc1 Show InChI InChI=1S/C29H27N3O5/c1-18-25(31-23-11-7-6-10-22(23)26(18)33)28(35)32-24(16-19-8-4-3-5-9-19)27(34)29(36)30-17-20-12-14-21(37-2)15-13-20/h3-15,24H,16-17H2,1-2H3,(H,30,36)(H,31,33)(H,32,35)/t24-/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	3.81E+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