BDBM50343072 (S)-N-(4-(benzylamino)-3,4-dioxo-1-phenylbutan-2-yl)-2-(3,4-dihydroxybenzylidene)hexanamide::CHEMBL1771023

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

InChI Key: InChIKey=HYGBQHVNEQFWSS-VWLOTQADSA-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 = 50343072   

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))	BDBM50343072 ((S)-N-(4-(benzylamino)-3,4-dioxo-1-phenylbutan-2-y...) Show SMILES CCCCC(=Cc1ccc(O)c(O)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccc1 |r,w:5.5| Show InChI InChI=1S/C30H32N2O5/c1-2-3-14-24(17-23-15-16-26(33)27(34)19-23)29(36)32-25(18-21-10-6-4-7-11-21)28(35)30(37)31-20-22-12-8-5-9-13-22/h4-13,15-17,19,25,33-34H,2-3,14,18,20H2,1H3,(H,31,37)(H,32,36)/t25-/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	670	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