BDBM188515 (S)-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one (BRD0209)::US10137122, Compound 114

SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1[C@]2(C)c1ccccc1

InChI Key

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 188515   

TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
Harvard Medical School

LigandPNGBDBM188515((S)-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,4,6,7...)
Affinity DataIC50:  19nMpH: 7.5 T: 2°CAssay Description:Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
Harvard Medical School

LigandPNGBDBM188515((S)-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,4,6,7...)
Affinity DataIC50: <100nMAssay Description:A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Harvard Medical School

LigandPNGBDBM188515((S)-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,4,6,7...)
Affinity DataIC50:  5nMpH: 7.5 T: 2°CAssay Description:Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...More data for this Ligand-Target Pair