BDBM50588800 CHEMBL5190388

SMILES Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCC=CCC2)cc1Cl

InChI Key InChIKey=WLCJNPFHCIGKND-UHFFFAOYSA-N

Data  2 KI  8 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 10 hits for monomerid = 50588800   

TargetCytochrome P450 1A2(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50588800(CHEMBL5190388)
Affinity DataIC50: 6.99E+3nMAssay Description:Inhibition of CYP1A2 in human liver Microsome using phenacetin as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50588800(CHEMBL5190388)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver Microsome using diclofenac as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50588800(CHEMBL5190388)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver Microsome using omeprazole as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50588800(CHEMBL5190388)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver Microsome using dextromethorphan as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50588800(CHEMBL5190388)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver Microsome using midazolam as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50588800(CHEMBL5190388)
Affinity DataIC50: 6.99E+3nMAssay Description:Inhibition of CYP1A2 in rat liver Microsome using phenacetin as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50588800(CHEMBL5190388)
Affinity DataIC50: 6.99E+3nMAssay Description:Inhibition of CYP1A2 in mouse liver Microsome using phenacetin as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50588800(CHEMBL5190388)
Affinity DataIC50: 6.06E+3nMAssay Description:Inhibition of human ERG stably transfected in HEK293 cells incubated for 2 hrs by TAMRA fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50588800(CHEMBL5190388)
Affinity DataKi:  575nMAssay Description:Displacement of [3H]-DTG from human sigma2 receptor expressed in human HEK293T cell membrane incubated for 90 mins by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50588800(CHEMBL5190388)
Affinity DataKi:  4.64E+3nMAssay Description:Displacement of [3H]-LSD from human sigma1 receptor expressed in human HEK293T cell membrane incubated for 90 mins by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed