Compile Data Set for Download or QSAR
Report error Found 15 Enz. Inhib. hit(s) with all data for entry = 50017387
TargetPotassium voltage-gated channel subfamily KQT member 3(Rat)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50601513(CHEMBL5180351)
Affinity DataEC50:  33nMAssay Description:Agonist activity at rat KCNQ2/3 channel expressed in CHO cells by patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily KQT member 2(Rat)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50601513(CHEMBL5180351)
Affinity DataEC50:  37nMAssay Description:Agonist activity at rat KCNQ2 channel expressed in CHO cells by patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily KQT member 2(Rat)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50143558(CHEMBL41355 | N-(2-amino-4-(4-fluorobenzylamino)-p...)
Affinity DataEC50:  2.04E+3nMAssay Description:Agonist activity at rat KCNQ2 channel expressed in CHO cells by patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A2(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50601513(CHEMBL5180351)
Affinity DataIC50: 2.53E+3nMAssay Description:Time dependent inhibition of human liver microsome CYP1A2 preincubated for 0.5 hrs in presence of NADPH followed by substrate addition by LC-MS/MS me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily KQT member 2/member 3(Rat)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50143558(CHEMBL41355 | N-(2-amino-4-(4-fluorobenzylamino)-p...)
Affinity DataEC50:  4.15E+3nMAssay Description:Agonist activity at rat KCNQ2/3 channel expressed in CHO cells by patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2B6(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50601513(CHEMBL5180351)
Affinity DataIC50: 5.76E+3nMAssay Description:Time dependent inhibition of human liver microsome CYP2B6 preincubated for 0.5 hrs in presence of NADPH followed by substrate addition by LC-MS/MS me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2C8(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50601513(CHEMBL5180351)
Affinity DataIC50: 3.52E+4nMAssay Description:Time dependent inhibition of human liver microsome CYP2C8 preincubated for 0.5 hrs in presence of NADPH followed by substrate addition by LC-MS/MS me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50601513(CHEMBL5180351)
Affinity DataIC50: 5.00E+4nMAssay Description:Time dependent inhibition of human liver microsome CYP2C9 preincubated for 0.5 hrs in presence or absence of NADPH followed by substrate addition by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50601513(CHEMBL5180351)
Affinity DataIC50: 5.00E+4nMAssay Description:Time dependent inhibition of human liver microsome CYP2D6 preincubated for 0.5 hrs in presence or absence of NADPH followed by substrate addition by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50601513(CHEMBL5180351)
Affinity DataIC50: 5.00E+4nMAssay Description:Time dependent inhibition of human liver microsome CYP2C19 preincubated for 0.5 hrs in presence or absence of NADPH followed by substrate addition by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50601513(CHEMBL5180351)
Affinity DataIC50: 5.00E+4nMAssay Description:Time dependent inhibition of human liver microsome CYP3A4 preincubated for 0.5 hrs in presence or absence of NADPH followed by testosterone addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50601513(CHEMBL5180351)
Affinity DataIC50: 5.00E+4nMAssay Description:Time dependent inhibition of human liver microsome CYP3A4 preincubated for 0.5 hrs in presence or absence of NADPH followed by midazolam addition by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2B6(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50601513(CHEMBL5180351)
Affinity DataIC50: 1.41E+5nMAssay Description:Time dependent inhibition of human liver microsome CYP2B6 preincubated for 0.5 hrs in absence of NADPH followed by substrate addition by LC-MS/MS met...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50601513(CHEMBL5180351)
Affinity DataIC50: 1.42E+5nMAssay Description:Time dependent inhibition of human liver microsome CYP1A2 preincubated for 0.5 hrs in absence of NADPH followed by substrate addition by LC-MS/MS met...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2C8(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50601513(CHEMBL5180351)
Affinity DataIC50: 2.25E+5nMAssay Description:Time dependent inhibition of human liver microsome CYP2C8 preincubated for 0.5 hrs in absence of NADPH followed by substrate addition by LC-MS/MS met...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed