BDBM50599234 CHEMBL5170489::US11884671, Example 52

SMILES Cc1cc2c(cccn2)cc1Nc3ncc4c(n3)N(C(=O)N4C)[C@@H]5CNC[C@H]5F

InChI Key InChIKey=VHGGSMHLKWIQAF-UHFFFAOYSA-N

Data  16 IC50

PDB links: 1 PDB ID matches 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 16 hits for monomerid = 50599234   

LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of PI3Kdelta in human JeKo-1 cells assessed as reduction in AKT autophosphorylation at Thr308 residueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetDNA-dependent protein kinase catalytic subunit(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 134nMAssay Description:Inhibition of DNA-PK in human A549 cells assessed as reduction in irradiation-induced autophosphorylation at S2056 residue preincubated for 1 hr foll...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetDNA-dependent protein kinase catalytic subunit(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 0.510nMAssay Description:Inhibition of DNA-PK (unknown origin) using EPPLSQEAFADLWKK peptide as substrate preincubated with compound for 30 mins followed by substrate additio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 7.50E+4nMAssay Description:Inhibition of hERG expressed in CHO cells by electrophysiological assay based automated patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetSerine-protein kinase ATM(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of ATM in human HT-29 cells assessed as reduction in ATM autophosphorylation at S1981 residueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of ATR in human HT-29 cells assessed as reduction in CHK1 autophosphorylation at S345 residueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PI3Kalpha in human BT-474 cells assessed as reduction in AKT autophosphorylation at T308 residueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as reduction in AKT autophosphorylation at T308 residueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of PI3Kgamma in mouse RAW 264 cells assessed as reduction in AKT autophosphorylation at Thr308 residueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetDNA-dependent protein kinase catalytic subunit(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 0.501nMAssay Description:The inhibitory activity of compounds against DNAPK was determined by TR-FRET measuring a fluorescent labelled peptide substrate converting to a phosp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2024
Entry Details
Go to US Patent

TargetDual specificity protein kinase TTK(Human)
Astrazeneca

US Patent
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 2.51E+3nMAssay Description:The inhibitory activity of compounds against TTK was determined in a LanthaScreen Eu Kinase Binding assay run by ThermoFisher Scientific as part of t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2024
Entry Details
Go to US Patent

TargetTyrosine-protein kinase JAK1(Human)
Astrazeneca

US Patent
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 1.00E+4nMAssay Description:JAK1: The 2×JAK/Tyr 06 (ThermoFisher Scientific proprietary) mixture was prepared in 50 mM HEPES pH 6.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.02%...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2024
Entry Details
Go to US Patent

TargetTyrosine-protein kinase JAK2(Human)
Astrazeneca

US Patent
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 1.00E+4nMAssay Description:JAK2: The 2×JAK2/Tyr 06 (ThermoFisher Scientific proprietary) mixture was prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2024
Entry Details
Go to US Patent

TargetTyrosine-protein kinase JAK3(Human)
Astrazeneca

US Patent
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 7.94E+3nMAssay Description:JAK3: The 2×JAK3/Tyr 06 (ThermoFisher Scientific proprietary) mixture was prepared in 50 mM HEPES pH 7.5. 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2024
Entry Details
Go to US Patent

TargetAurora kinase A(Human)
Astrazeneca

US Patent
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2024
Entry Details
Go to US Patent

TargetAurora kinase B(Human)
Astrazeneca

US Patent
LigandPNGBDBM50599234(CHEMBL5170489 | US11884671, Example 52)
Affinity DataIC50: 1.00E+4nMAssay Description:Aurora B (AurB): The 2×AURKB (Aurora B)/Ser/Thr 01 (ThermoFisher Scientific proprietary) mixture was prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2024
Entry Details
Go to US Patent