BindingDB PrimarySearch

BDBM23866 MDL28170::Z-Val-Phe-CHO::benzyl N-[(1S)-2-methyl-1-[(1-oxo-3-phenylpropan-2-yl)carbamoyl]propyl]carbamate::calpain inhibitor III::med.21724, Compound 20

SMILES: CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O

InChI Key: InChIKey=NGBKFLTYGSREKK-UHFFFAOYSA-N

Data: 1 KI 5 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 23866
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Calpain-1 (Sus scrofa (pig))	BDBM23866 (MDL28170 \| Z-Val-Phe-CHO \| benzyl N-[(1S)-2-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	10	-10.8	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
University of Tennessee Health Science Center					More data for this Ligand-Target Pair
Calpain-2 (m-Calpain) (Homo sapiens (Human))	BDBM23866 (MDL28170 \| Z-Val-Phe-CHO \| benzyl N-[(1S)-2-methyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
Ewha Womans University, Seoul 120-750, Republic of Korea.					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM23866 (MDL28170 \| Z-Val-Phe-CHO \| benzyl N-[(1S)-2-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM23866 (MDL28170 \| Z-Val-Phe-CHO \| benzyl N-[(1S)-2-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin L was assayed in reaction buffer (0.1M NaOAc-HCl, 1 mM EDTA, 0.1% β-mercaptoethanol, pH 5.5) containing 20 µM subst...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
Ewha Womans University, Seoul 120-750, Republic of Korea.					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM23866 (MDL28170 \| Z-Val-Phe-CHO \| benzyl N-[(1S)-2-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM23866 (MDL28170 \| Z-Val-Phe-CHO \| benzyl N-[(1S)-2-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of µ-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 50 mM NaCl, 1 mM EDTA, 1 mM EGTA and 5 mM β-mercaptoethanol, pH...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
Ewha Womans University, Seoul 120-750, Republic of Korea.					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM23866 (MDL28170 \| Z-Val-Phe-CHO \| benzyl N-[(1S)-2-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95.8	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin B was assayed in reaction buffer (50 mM NaOAc-HCl, 2 mM dithiothreitol, 2 mM EDTA, pH 5.5) containing 20 µM substrate an...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
Ewha Womans University, Seoul 120-750, Republic of Korea.					More data for this Ligand-Target Pair