BDBM188510 (S)-4-(2-methoxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one (13)::US10137122, Compound 21

SMILES COc1ccccc1[C@@H]1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2

InChI Key

Data  4 IC50

  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 4 hits for monomerid = 188510   

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

LigandPNGBDBM188510((S)-4-(2-methoxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,...)
Affinity DataIC50:  5.06E+3nMpH: 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 beta(Homo sapiens (Human))
The Broad Institute

US Patent
LigandPNGBDBM188510((S)-4-(2-methoxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,...)
Affinity DataIC50:  3.00E+3nMAssay Description:20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
Harvard Medical School

LigandPNGBDBM188510((S)-4-(2-methoxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,...)
Affinity DataIC50:  550nMAssay 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))
The Broad Institute

US Patent
LigandPNGBDBM188510((S)-4-(2-methoxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,...)
Affinity DataIC50:  5.86E+3nMpH: 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