BDBM77529 MLS000548411::N-[1,3-benzodioxol-5-yl-(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]butanamide::N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolinyl)methyl]butanamide::N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolyl)methyl]butyramide::N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxyquinolin-7-yl)methyl]butanamide::N-[Benzo[1,3]dioxol-5-yl-(5-chloro-8-hydroxy-quinolin-7-yl)-methyl]-butyramide::SMR000172091::cid_3138755

SMILES CCCC(=O)NC(c1ccc2OCOc2c1)c1cc(Cl)c2cccnc2c1O

InChI Key InChIKey=BIQMEYCMAGHOEQ-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 77529   

LigandPNGBDBM77529(N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxyquinoli...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of GRP78 (unknown origin) by FP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM77529(N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxyquinoli...)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of His-tagged human recombinant GRP78 expressed in Escherichia coli BL21 (DE3) cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetNuclear receptor coactivator 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM77529(N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxyquinoli...)
Affinity DataIC50: 7.24E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2012
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM77529(N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxyquinoli...)
Affinity DataIC50: 7.71E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2012
Entry Details
PCBioAssay
TargetTegument protein VP16(HHV-1)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM77529(N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxyquinoli...)
Affinity DataIC50: 7.92E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2012
Entry Details
PCBioAssay
TargetRecBCD enzyme subunit RecD(Escherichia coli (strain K12))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM77529(N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxyquinoli...)
Affinity DataIC50: 1.19E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay