BDBM23855 Peptidyl alpha-Ketoester, 1a::methyl 3-[(2S)-2-(3-cyclohexylpropanamido)-4-methylpentanamido]-2-oxo-4-phenylbutanoate

SMILES: COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CCC1CCCCC1

InChI Key: InChIKey=PBHHRZWVZDTWDB-KEKNWZKVSA-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 = 23855   

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))	BDBM23855 (Peptidyl alpha-Ketoester, 1a | methyl 3-[(2S)-2-(3...) Show SMILES COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CCC1CCCCC1 |r| Show InChI InChI=1S/C26H38N2O5/c1-18(2)16-22(27-23(29)15-14-19-10-6-4-7-11-19)25(31)28-21(24(30)26(32)33-3)17-20-12-8-5-9-13-20/h5,8-9,12-13,18-19,21-22H,4,6-7,10-11,14-17H2,1-3H3,(H,27,29)(H,28,31)/t21?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.05E+3	-8.07	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
					More data for this Ligand-Target Pair