BDBM34599 1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(6-morpholin-4-ylpyrimidin-4-yl)urea::1-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(6-morpholin-4-ylpyrimidin-4-yl)urea::1-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(6-morpholinopyrimidin-4-yl)urea::1-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-[6-(4-morpholinyl)-4-pyrimidinyl]urea::MLS000085600::N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-N'-(6-morpholin-4-ylpyrimidin-4-yl)urea::SMR000020535::cid_3236557

SMILES FC(F)(F)C1(NC(=O)Nc2cc(ncn2)N2CCOCC2)Oc2ccc(Cl)cc2O1

InChI Key InChIKey=LTDAZLUZQYJTMB-UHFFFAOYSA-N

Data  8 IC50  2 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 = 34599   

TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34599(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Affinity DataIC50:  1.81E+4nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA-directed RNA polymerase subunit beta(Escherichia coli)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM34599(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Affinity DataIC50:  2.63E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...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
LigandPNGBDBM34599(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Affinity DataIC50:  1.27E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...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
LigandPNGBDBM34599(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Affinity DataIC50:  1.04E+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
LigandPNGBDBM34599(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
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
TargetAlkaline phosphatase, germ cell type(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34599(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Affinity DataEC50:  9.99E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM17 leucyl aminopeptidase(Plasmodium falciparum 3D7)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM34599(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Affinity DataIC50:  3.24E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM34599(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
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
LigandPNGBDBM34599(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
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
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34599(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
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