BDBM68124 1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea::1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]urea::1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]urea::MLS000693606::SMR000285473::cid_3217186

SMILES [H]C12CCCC([H])(CC(C1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)N2Cc1ccccc1

InChI Key InChIKey=WGBAOHIEBXQJGQ-UHFFFAOYSA-N

Data  7 IC50  3 EC50

  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 = 68124   

TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68124(1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-[4-ch...)
Affinity DataIC50: >1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM68124(1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-[4-ch...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIntestinal-type alkaline phosphatase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM68124(1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-[4-ch...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAlkaline phosphatase, germ cell type(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM68124(1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-[4-ch...)
Affinity DataEC50: >1.00E+5nMAssay 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 DepthDetails PCBioAssay
TargetEndoribonuclease toxin MazF(Escherichia coli str. K-12 substr. MG1655)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM68124(1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-[4-ch...)
Affinity DataEC50: >9.90E+4nMAssay 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 DepthDetails PCBioAssay
TargetIntestinal-type alkaline phosphatase 1(Rattus norvegicus (Rat))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM68124(1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-[4-ch...)
Affinity DataIC50:  1.12E+4nMAssay 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 DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68124(1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-[4-ch...)
Affinity DataIC50: >1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68124(1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-[4-ch...)
Affinity DataIC50:  7.41E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEndoribonuclease toxin MazF(Escherichia coli str. K-12 substr. MG1655)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM68124(1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-[4-ch...)
Affinity DataEC50: >9.90E+4nMAssay 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 DepthDetails PCBioAssay
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM68124(1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-[4-ch...)
Affinity DataIC50: >1.00E+5nMAssay 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 DepthDetails PCBioAssay