BDBM50606047 CHEMBL5191392

SMILES Fc1ccc(CN2CCn3c2nc(=O)c2CN(Cc4ccccc4)CCc32)cc1Br

InChI Key InChIKey=MXNHOWULPTWEIK-UHFFFAOYSA-N

Data  8 IC50  1 Kd  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50606047   

TargetCytochrome P450 2B6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50606047(CHEMBL5191392)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606047(CHEMBL5191392)
Affinity DataEC50:  200nMAssay Description:Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
LigandPNGBDBM50606047(CHEMBL5191392)
Affinity DataKd:  180nMAssay Description:Binding affinity to human CLpP assessed as dissociation constant by ITC methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50606047(CHEMBL5191392)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50606047(CHEMBL5191392)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50606047(CHEMBL5191392)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50606047(CHEMBL5191392)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam and testosterone as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50606047(CHEMBL5191392)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C8(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50606047(CHEMBL5191392)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50606047(CHEMBL5191392)
Affinity DataIC50: 4.91E+3nMAssay Description:Inhibition of hERG expressed in HEK293 cells by automated patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed