BDBM50642378 CHEMBL5592140

SMILES COc1ncc(-c2cc(OCCCc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50642378   

TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Human)
Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50642378(CHEMBL5592140)
Affinity DataIC50: 0.260nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Human)
Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50642378(CHEMBL5592140)
Affinity DataIC50: 0.620nMAssay Description:Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Human)
Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50642378(CHEMBL5592140)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 3(Human)
Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50642378(CHEMBL5592140)
Affinity DataIC50: 6.60nMAssay Description:Inhibition of HDAC3 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetSerine/threonine-protein kinase mTOR(Human)
Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50642378(CHEMBL5592140)
Affinity DataIC50: 9.5nMAssay Description:Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) using ULight-4E-BP1 (Thr37/46) peptide as substrate incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Human)
Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50642378(CHEMBL5592140)
Affinity DataIC50: 15nMAssay Description:Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50642378(CHEMBL5592140)
Affinity DataIC50: 28nMAssay Description:Inhibition of C-terminal 6His-FLAG-tagged human recombinant HDAC1 (1 to 482 residues) expressed in Sf9 cells using Ac-peptide as substrate preincubat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 2(Human)
Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50642378(CHEMBL5592140)
Affinity DataIC50: 85nMAssay Description:Inhibition of C-terminal His6-FLAG-tagged human recombinant HDAC2 (1 to 488 residues) expressed in Sf9 cells using Ac-peptide as substrate preincubat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 11(Human)
Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50642378(CHEMBL5592140)
Affinity DataIC50: 3.52E+3nMAssay Description:Inhibition of human HDAC11 (1 to 347 end residues) expressed in Sf9 cells using Ac-peptide as substrate incubated for 1 hr by plate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 6(Human)
Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50642378(CHEMBL5592140)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of HDAC6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 4(Human)
Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50642378(CHEMBL5592140)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of N-terminal GST-tagged and C-terminal His-tagged human HDAC4 (627 to 1084 end residues) expressed in baculovirus infected Sf9 cells usin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone deacetylase 8(Human)
Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50642378(CHEMBL5592140)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of C-terminal His-tagged human recombinant HDAC8 (1 to 377 end residues) expressed in Sf9 cells using Ac-peptide as substrate incubated fo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed