BDBM39861 Cyclopropanecarboxylic acid [1,4]dioxan-2-ylmethyl-(6-ethoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-amide::MLS000031787::N-(1,4-dioxan-2-ylmethyl)-N-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]cyclopropanecarboxamide::N-(1,4-dioxan-2-ylmethyl)-N-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]cyclopropanecarboxamide::N-(1,4-dioxan-2-ylmethyl)-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]cyclopropanecarboxamide::SMR000005826::cid_655565

SMILES CCOc1ccc2[nH]c(=O)c(CN(CC3COCCO3)C(=O)C3CC3)cc2c1

InChI Key InChIKey=HPLSDZDHRCCDEF-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 39861   

Target14-3-3 protein gamma(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39861(MLS000031787 | SMR000005826 | Cyclopropanecarboxyl...)
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant: 1 X01MH78953-01 The 14-3-3 pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/5/2011
Entry Details
PCBioAssay
TargetIntegrin alpha-4(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM39861(MLS000031787 | SMR000005826 | Cyclopropanecarboxyl...)
Affinity DataEC50:  4.51E+4nMAssay Description:Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
TargetGlycoprotein 42(HHV-4)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM39861(MLS000031787 | SMR000005826 | Cyclopropanecarboxyl...)
Affinity DataIC50: 1.91E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM39861(MLS000031787 | SMR000005826 | Cyclopropanecarboxyl...)
Affinity DataEC50:  1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay