BDBM50611046 CHEMBL5290005

SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(N)=O

InChI Key InChIKey=LACMSNCHWBQXEK-UHFFFAOYSA-N

Data  12 IC50  3 EC50

  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 15 hits for monomerid = 50611046   

LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataIC50: 13nMAssay Description:Inhibition of recombinant full length His-tagged PIP4K2A (unknown origin) expressed in sf21 cells assessed as reduction in ADP production preincubate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataIC50: 110nMAssay Description:Inhibition of recombinant full length His-tagged PIP4K2A (unknown origin) expressed in sf21 assessed as reduction in PI4,5P2 production preincubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataIC50: 69nMAssay Description:Inhibition of recombinant full length His-tagged PIP4K2A (unknown origin) expressed in sf21 cells assessed as reduction in ADP production preincubate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataIC50: 770nMAssay Description:Inhibition of recombinant full length His-tagged PIP4K2A (unknown origin) expressed in sf21 assessed as reduction in PI4,5P2 production preincubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human PIP4K2A in human THP-1 cells assessed as increase in Akt phosphorylation at Ser473 residue incubated for 2 hrs by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERG mediated tail current in HEK293 cells at 10 uM and measured after 5 to 6 mins at -80 mV holding potential by whole cell patch...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCytochrome P450 2C8(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataIC50: 8.35E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes preincubated with compound followed by substrate addition using dextromethorphan as substrate by LC-MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataEC50:  2.10E+3nMAssay Description:Binding affinity to human PIP4K2A in human THP-1 cell lysate assessed as thermal stability by measuring shift in temperature incubated for 30 mins at...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataEC50:  1.60E+3nMAssay Description:Binding affinity to human PIP4K2A in human THP-1 intact cells sessed as thermal stability by measuring shift in temperature incubated for 30 mins at ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
LigandPNGBDBM50611046(CHEMBL5290005)
Affinity DataEC50:  1.81E+4nMAssay Description:Inhibition of human PIP4K2A in human THP-1 cells assessed as increase in mitochondrial ROS level incubated for 1 hrs by MitoSOX Red based flow cytome...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed