BDBM63909 3-[[4-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyrimidinyl]amino]-1-propanol::3-[[4-[6-(3-chloroanilino)pyrimidin-4-yl]pyrimidin-2-yl]amino]propan-1-ol::3-[[4-[6-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyrimidin-2-yl]amino]propan-1-ol::MLS000911535::SMR000463551::cid_16746083

SMILES OCCCNc1nccc(n1)-c1cc(Nc2cccc(Cl)c2)ncn1

InChI Key InChIKey=GIYJWNPAJFHPEI-UHFFFAOYSA-N

Data  3 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 5 hits for monomerid = 63909   

TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM63909(3-[[4-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyrimi...)
Affinity DataEC50:  3.80E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM63909(3-[[4-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyrimi...)
Affinity DataIC50:  490nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM63909(3-[[4-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyrimi...)
Affinity DataIC50:  210nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM63909(3-[[4-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyrimi...)
Affinity DataIC50:  490nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM63909(3-[[4-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyrimi...)
Affinity DataEC50:  77.9nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay