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BDBM69506 2-N-butan-2-yl-4-N-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine::MLS000770085::N-sec-Butyl-N'-(2-methoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamine::N2-butan-2-yl-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine::N2-butan-2-yl-N4-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine::SMR000434817::[4-amino-5-nitro-6-(o-anisidino)pyrimidin-2-yl]-sec-butyl-amine::cid_3786263

SMILES: CCC(C)Nc1nc(N)c(c(Nc2ccccc2OC)n1)[N+]([O-])=O

InChI Key: InChIKey=WBCAUQJLDJNULE-UHFFFAOYSA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 69506   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69506
PNG
(2-N-butan-2-yl-4-N-(2-methoxyphenyl)-5-nitropyrimi...)
Show SMILES CCC(C)Nc1nc(N)c(c(Nc2ccccc2OC)n1)[N+]([O-])=O
Show InChI InChI=1S/C15H20N6O3/c1-4-9(2)17-15-19-13(16)12(21(22)23)14(20-15)18-10-7-5-6-8-11(10)24-3/h5-9H,4H2,1-3H3,(H4,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 632n/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)
BDBM69506
PNG
(2-N-butan-2-yl-4-N-(2-methoxyphenyl)-5-nitropyrimi...)
Show SMILES CCC(C)Nc1nc(N)c(c(Nc2ccccc2OC)n1)[N+]([O-])=O
Show InChI InChI=1S/C15H20N6O3/c1-4-9(2)17-15-19-13(16)12(21(22)23)14(20-15)18-10-7-5-6-8-11(10)24-3/h5-9H,4H2,1-3H3,(H4,16,17,18,19,20)
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.28E+5n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2QN6575
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM69506
PNG
(2-N-butan-2-yl-4-N-(2-methoxyphenyl)-5-nitropyrimi...)
Show SMILES CCC(C)Nc1nc(N)c(c(Nc2ccccc2OC)n1)[N+]([O-])=O
Show InChI InChI=1S/C15H20N6O3/c1-4-9(2)17-15-19-13(16)12(21(22)23)14(20-15)18-10-7-5-6-8-11(10)24-3/h5-9H,4H2,1-3H3,(H4,16,17,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.59E+4n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2057DDB
More data for this
Ligand-Target Pair