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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM69506 (2-N-butan-2-yl-4-N-(2-methoxyphenyl)-5-nitropyrimi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 632 | n/a | n/a | n/a | n/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, peroxisomal [1-24] (Saccharomyces cerevisiae) | BDBM69506 (2-N-butan-2-yl-4-N-(2-methoxyphenyl)-5-nitropyrimi...) | GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.28E+5 | n/a | n/a | n/a | n/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 | |||||||||||||
Vacuolar aminopeptidase 1 (Saccharomyces cerevisiae) | BDBM69506 (2-N-butan-2-yl-4-N-(2-methoxyphenyl)-5-nitropyrimi...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.59E+4 | n/a | n/a | n/a | n/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 |