BDBM50343070 (S)-N-(4-(benzylamino)-3,4-dioxo-1-phenylbutan-2-yl)-2-(3,4-dihydroxybenzylidene)pentanamide::CHEMBL1770881

SMILES: CCCC(=Cc1ccc(O)c(O)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=UIMVZGPBQWIZLL-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 = 50343070   

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))	BDBM50343070 ((S)-N-(4-(benzylamino)-3,4-dioxo-1-phenylbutan-2-y...) Show SMILES CCCC(=Cc1ccc(O)c(O)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccc1 |r,w:4.4| Show InChI InChI=1S/C29H30N2O5/c1-2-9-23(16-22-14-15-25(32)26(33)18-22)28(35)31-24(17-20-10-5-3-6-11-20)27(34)29(36)30-19-21-12-7-4-8-13-21/h3-8,10-16,18,24,32-33H,2,9,17,19H2,1H3,(H,30,36)(H,31,35)/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	360	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes mu-calpain using Suc-Leu-Tyr-AMC fluorogenic substrate after 30 mins by spectrofluorimetery				Bioorg Med Chem Lett 21: 2850-4 (2011) Article DOI: 10.1016/j.bmcl.2011.03.077 BindingDB Entry DOI: 10.7270/Q27P8ZQQ
					More data for this Ligand-Target Pair