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 InChIKey=YKPIWOGXCSQLFH-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 188515   

TargetGlycogen synthase kinase-3 alpha(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 Article
PubMed
TargetGlycogen synthase kinase-3 beta(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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetGlycogen synthase kinase-3 alpha(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(Human)
Harvard Medical School

LigandPNGBDBM188515((S)-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,4,6,7...)
Affinity DataIC50: 5nMAssay Description:Inhibition of human recombinant GSK-3betaMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)