BDBM23858 Peptidyl alpha-Ketoester, 1b::methyl 3-[(2S)-2-[1-(adamantan-1-yl)acetamido]-4-methylpentanamido]-2-oxo-4-phenylbutanoate

SMILES: COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=SZCTXKIVJORGPF-JQDMVOQTSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23858   

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))	BDBM23858 (Peptidyl alpha-Ketoester, 1b | methyl 3-[(2S)-2-[1...) Show SMILES COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC12CC3CC(CC(C3)C1)C2 |r,TLB:33:28:35:32.31.34,33:32:28.29.27:35,THB:31:30:27:32.33.34,31:32:27:30.29.35| Show InChI InChI=1S/C29H40N2O5/c1-18(2)9-24(30-25(32)17-29-14-20-10-21(15-29)12-22(11-20)16-29)27(34)31-23(26(33)28(35)36-3)13-19-7-5-4-6-8-19/h4-8,18,20-24H,9-17H2,1-3H3,(H,30,32)(H,31,34)/t20?,21?,22?,23?,24-,29?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	450	-8.57	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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