BDBM50501900 CHEMBL4463039

SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N

InChI Key InChIKey=IRPVXIPKBSUDAN-UHFFFAOYSA-N

Data  1 KI  8 IC50  1 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 10 hits for monomerid = 50501900   

TargetCytochrome P450 2D6(Human)
Albany College of Pharmacy and Health Sciences

Curated by ChEMBL
LigandPNGBDBM50501900(CHEMBL4463039)
Affinity DataIC50: 5.40E+4nMAssay Description:Time dependent inhibition of CYP2D6 in human liver microsomes measured after 30 mins in absence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Albany College of Pharmacy and Health Sciences

Curated by ChEMBL
LigandPNGBDBM50501900(CHEMBL4463039)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of recombinant human CYP2C19 expressed in insect cell microsomes in presence of NADPH-regenerating system after 15 to 45 mins by fluoresce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Albany College of Pharmacy and Health Sciences

Curated by ChEMBL
LigandPNGBDBM50501900(CHEMBL4463039)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in insect cell microsomes in presence of NADPH-regenerating system after 15 to 45 mins by fluorescen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Albany College of Pharmacy and Health Sciences

Curated by ChEMBL
LigandPNGBDBM50501900(CHEMBL4463039)
Affinity DataEC50:  4.00E+3nMAssay Description:Displacement of [3H]U69593 from human kappa opioid receptor after 60 mins by radiometric scintillation methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Albany College of Pharmacy and Health Sciences

Curated by ChEMBL
LigandPNGBDBM50501900(CHEMBL4463039)
Affinity DataIC50: 3.40E+3nMAssay Description:Time dependent inhibition of CYP2D6 in human liver microsomes measured after 30 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Albany College of Pharmacy and Health Sciences

Curated by ChEMBL
LigandPNGBDBM50501900(CHEMBL4463039)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by PatchXpress automated electrophysiology methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetRetinol-binding protein 4(Human)
Albany College of Pharmacy and Health Sciences

Curated by ChEMBL
LigandPNGBDBM50501900(CHEMBL4463039)
Affinity DataIC50: 5.10nMAssay Description:Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Albany College of Pharmacy and Health Sciences

Curated by ChEMBL
LigandPNGBDBM50501900(CHEMBL4463039)
Affinity DataIC50: 4.70E+3nMAssay Description:Inhibition of recombinant human CYP2C9 expressed in insect cell microsomes in presence of NADPH-regenerating system after 15 to 45 mins by fluorescen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Albany College of Pharmacy and Health Sciences

Curated by ChEMBL
LigandPNGBDBM50501900(CHEMBL4463039)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes in presence of NADPH-regenerating system after 15 to 45 mins by fluorescen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Albany College of Pharmacy and Health Sciences

Curated by ChEMBL
LigandPNGBDBM50501900(CHEMBL4463039)
Affinity DataKi:  3.13E+3nMAssay Description:Time dependent inhibition of CYP2D6 in human liver microsomes assessed as equilibrium inhibition binding constant in presence of NADPH by LC-MS/MS an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed