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BDBM66010 4-N-(3-fluorophenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine::MLS000332706::N'-(3-Fluoro-phenyl)-N-methyl-5-nitro-pyrimidine-2,4,6-triamine::N4-(3-fluorophenyl)-N2-methyl-5-nitro-pyrimidine-2,4,6-triamine::N4-(3-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine::SMR000436035::[4-amino-6-(3-fluoroanilino)-5-nitro-pyrimidin-2-yl]-methyl-amine::cid_3528206

SMILES: CNc1nc(N)c(c(Nc2cccc(F)c2)n1)[N+]([O-])=O

InChI Key: InChIKey=VVVWGFVAXRWEMB-UHFFFAOYSA-N

Data: 6 EC50

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 6 hits for monomerid = 66010   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RPL19A


(Saccharomyces cerevisiae)
BDBM66010
PNG
(4-N-(3-fluorophenyl)-2-N-methyl-5-nitropyrimidine-...)
Show SMILES CNc1nc(N)c(c(Nc2cccc(F)c2)n1)[N+]([O-])=O
Show InChI InChI=1S/C11H11FN6O2/c1-14-11-16-9(13)8(18(19)20)10(17-11)15-7-4-2-3-6(12)5-7/h2-5H,1H3,(H4,13,14,15,16,17)
PDB
MMDB

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n/an/an/an/a 7.46E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
BDBM66010
PNG
(4-N-(3-fluorophenyl)-2-N-methyl-5-nitropyrimidine-...)
Show SMILES CNc1nc(N)c(c(Nc2cccc(F)c2)n1)[N+]([O-])=O
Show InChI InChI=1S/C11H11FN6O2/c1-14-11-16-9(13)8(18(19)20)10(17-11)15-7-4-2-3-6(12)5-7/h2-5H,1H3,(H4,13,14,15,16,17)
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n/an/an/an/a 6.85E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X5F
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM66010
PNG
(4-N-(3-fluorophenyl)-2-N-methyl-5-nitropyrimidine-...)
Show SMILES CNc1nc(N)c(c(Nc2cccc(F)c2)n1)[N+]([O-])=O
Show InChI InChI=1S/C11H11FN6O2/c1-14-11-16-9(13)8(18(19)20)10(17-11)15-7-4-2-3-6(12)5-7/h2-5H,1H3,(H4,13,14,15,16,17)
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n/an/an/an/a 1.24E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
citrate synthase 2


(Saccharomyces cerevisiae)
BDBM66010
PNG
(4-N-(3-fluorophenyl)-2-N-methyl-5-nitropyrimidine-...)
Show SMILES CNc1nc(N)c(c(Nc2cccc(F)c2)n1)[N+]([O-])=O
Show InChI InChI=1S/C11H11FN6O2/c1-14-11-16-9(13)8(18(19)20)10(17-11)15-7-4-2-3-6(12)5-7/h2-5H,1H3,(H4,13,14,15,16,17)
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n/an/an/an/a 4.36E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25H7DRT
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM66010
PNG
(4-N-(3-fluorophenyl)-2-N-methyl-5-nitropyrimidine-...)
Show SMILES CNc1nc(N)c(c(Nc2cccc(F)c2)n1)[N+]([O-])=O
Show InChI InChI=1S/C11H11FN6O2/c1-14-11-16-9(13)8(18(19)20)10(17-11)15-7-4-2-3-6(12)5-7/h2-5H,1H3,(H4,13,14,15,16,17)
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n/an/an/an/a 5.50E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM66010
PNG
(4-N-(3-fluorophenyl)-2-N-methyl-5-nitropyrimidine-...)
Show SMILES CNc1nc(N)c(c(Nc2cccc(F)c2)n1)[N+]([O-])=O
Show InChI InChI=1S/C11H11FN6O2/c1-14-11-16-9(13)8(18(19)20)10(17-11)15-7-4-2-3-6(12)5-7/h2-5H,1H3,(H4,13,14,15,16,17)
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n/an/an/an/a 9.39E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29885GJ
More data for this
Ligand-Target Pair