BDBM31691 3-Methoxy-N-(9-phenylcarbamoylmethyl-9-aza-bicyclo[3.3.1]non-3-yl)-benzamide::3-methoxy-N-[9-(2-oxidanylidene-2-phenylazanyl-ethyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide;hydrochloride::MLS000030189::N-[9-(2-anilino-2-keto-ethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxy-benzamide;hydrochloride::N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide;hydrochloride::SMR000006667::cid_6602529

SMILES [H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(OC)c1)N2CC(=O)Nc1ccccc1

InChI Key InChIKey=NLSUYCKVYNOBGU-UHFFFAOYSA-N

Data  10 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 31691   

TargetHeat shock protein HSP 90-alpha(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31691(cid_6602529 | 3-methoxy-N-[9-(2-oxidanylidene-2-ph...)
Affinity DataIC50: 1.57E+4nMpH: 7.4 T: 2°CAssay Description:A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2009
Entry Details
PCBioAssay
TargetHeat shock 70 kDa protein 1A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31691(cid_6602529 | 3-methoxy-N-[9-(2-oxidanylidene-2-ph...)
Affinity DataIC50: 4.54E+4nMpH: 7.0 T: 2°CAssay Description:Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/25/2009
Entry Details
PCBioAssay
TargetBcl-2-related protein A1(Mouse)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31691(cid_6602529 | 3-methoxy-N-[9-(2-oxidanylidene-2-ph...)
Affinity DataIC50: 1.00E+5nMpH: 7.0 T: 2°CAssay Description:The aim is to identify chemical probes of Bfl-1 through a fluorescence polarization assay (FPA) using FITC-Bid BH3 peptide. 1) Dose-response curves c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2009
Entry Details
PCBioAssay
TargetHeat shock 70 kDa protein 1A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31691(cid_6602529 | 3-methoxy-N-[9-(2-oxidanylidene-2-ph...)
Affinity DataIC50: 1.14E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay
TargetBcl-2-related protein A1(Mouse)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31691(cid_6602529 | 3-methoxy-N-[9-(2-oxidanylidene-2-ph...)
Affinity DataIC50: 1.00E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetMothers against decapentaplegic homolog 3(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31691(cid_6602529 | 3-methoxy-N-[9-(2-oxidanylidene-2-ph...)
Affinity DataIC50: 9.46E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetNuclear receptor subfamily 4 group A member 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31691(cid_6602529 | 3-methoxy-N-[9-(2-oxidanylidene-2-ph...)
Affinity DataIC50: 7.36E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31691(cid_6602529 | 3-methoxy-N-[9-(2-oxidanylidene-2-ph...)
Affinity DataIC50: 4.46E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 7(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31691(cid_6602529 | 3-methoxy-N-[9-(2-oxidanylidene-2-ph...)
Affinity DataIC50: 4.67E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
TargetHeat shock cognate 71 kDa protein(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31691(cid_6602529 | 3-methoxy-N-[9-(2-oxidanylidene-2-ph...)
Affinity DataIC50: 9.99E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay