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:
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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(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34599(MLS000085600 | cid_3236557 | SMR000020535 | 1-[5-c...)
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 Depth
Date in BDB:
11/24/2009
Entry Details
PCBioAssay
TargetDNA-directed RNA polymerase subunit beta(Escherichia coli)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM34599(MLS000085600 | cid_3236557 | SMR000020535 | 1-[5-c...)
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 Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34599(MLS000085600 | cid_3236557 | SMR000020535 | 1-[5-c...)
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 Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34599(MLS000085600 | cid_3236557 | SMR000020535 | 1-[5-c...)
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 Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34599(MLS000085600 | cid_3236557 | SMR000020535 | 1-[5-c...)
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 Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34599(MLS000085600 | cid_3236557 | SMR000020535 | 1-[5-c...)
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 Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetM17 leucyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM34599(MLS000085600 | cid_3236557 | SMR000020535 | 1-[5-c...)
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 Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM34599(MLS000085600 | cid_3236557 | SMR000020535 | 1-[5-c...)
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 Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM34599(MLS000085600 | cid_3236557 | SMR000020535 | 1-[5-c...)
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 Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM34599(MLS000085600 | cid_3236557 | SMR000020535 | 1-[5-c...)
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 Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay