BDBM50395821 CHEMBL2165191

SMILES CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3C(=O)O)N4CCOCC4

InChI Key InChIKey=IRTDIKMSKMREGO-UHFFFAOYSA-N

Data  44 IC50

PDB links: 2 PDB IDs match this monomer.

  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 44 hits for monomerid = 50395821   

TargetSerine/threonine-protein kinase PAK 1(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 3.36E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSerine/threonine-protein kinase PLK1(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 8.40E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetTyrosine-protein kinase CSK(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 9.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSerine-protein kinase ATM(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetInsulin-like growth factor 1 receptor(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 2.58E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetTyrosine-protein kinase ZAP-70(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 9.99E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 2.98E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetVascular endothelial growth factor receptor 2(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 1.17E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetFibroblast growth factor receptor 1(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 6.99E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetFocal adhesion kinase 1(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 1.00E+6nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetTyrosine-protein kinase JAK3(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 2.01E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 1.70E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSerine/threonine-protein kinase Chk1(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 1.00E+6nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetMitogen-activated protein kinase 14(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 6.71E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 1.00E+6nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 620nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 2.93E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 270nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 210nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 120nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 1.80E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 4.40E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 870nMAssay Description:Inhibition of recombinant human PI3Kgamma assessed as reduction in PIP3 formation by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 1.09E+3nMAssay Description:Inhibition of human recombinant PI3Kgamma assessed as PIP3 production by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 80nMAssay Description:Inhibition of human recombinant PI3Kdelta assessed as PIP3 production by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2016
Entry Details Article
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 10nMAssay Description:Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2016
Entry Details Article
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 870nMAssay Description:Inhibition of human recombinant PI3Kalpha assessed as PIP3 production by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2016
Entry Details Article
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 870nMAssay Description:Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 10nMAssay Description:Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 10nMAssay Description:ATP competitive inhibition of human recombinant PI3Kbeta assessed as PIP3 production by Alpha-screen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/14/2018
Entry Details Article
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 40nMAssay Description:Inhibition of human PIK3CB by alphascreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 80nMAssay Description:Inhibition of recombinant human PI3Kalpha assessed as reduction in PIP3 formation by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 10nMAssay Description:Inhibition of recombinant human PI3Kbeta assessed as reduction in PIP3 formation by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 40nMAssay Description:Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2016
Entry Details Article
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 1.09E+3nMAssay Description:Inhibition of recombinant human PI3Kdelta assessed as reduction in PIP3 formation by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 10nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 80nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetDNA-dependent protein kinase catalytic subunit(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 420nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 870nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 1.09E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 40nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSerine/threonine-protein kinase mTOR(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 8.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 3.70E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetAurora kinase B(Human)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50395821(CHEMBL2165191)
Affinity DataIC50: 2.80E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed