BDBM23862 Peptidyl alpha-Ketoester, 1d::methyl 3-[(2S)-2-(3,3-diphenylpropanamido)-4-methylpentanamido]-2-oxo-4-phenylbutanoate

SMILES: COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=KEYVXBPTASBLDW-CPRJBALCSA-N

Data: 1 KI

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 = 23862   

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 (Sus scrofa (pig))	BDBM23862 (Peptidyl alpha-Ketoester, 1d | methyl 3-[(2S)-2-(3...) Show SMILES COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C32H36N2O5/c1-22(2)19-28(31(37)34-27(30(36)32(38)39-3)20-23-13-7-4-8-14-23)33-29(35)21-26(24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,22,26-28H,19-21H2,1-3H3,(H,33,35)(H,34,37)/t27?,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.15E+3	-7.65	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description Assays were initiated by addition of CaCl2, and the increase in fluorescence (ex @370 nm, em @440 nm) was monitored. MDL28170 and buffer with 2% DMSO...				J Med Chem 51: 4346-50 (2008) Article DOI: 10.1021/jm800182c BindingDB Entry DOI: 10.7270/Q2542KW0
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