BDBM50414954 CHEMBL575966

SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1

InChI Key InChIKey=IGRCWJPBLWGNPX-UHFFFAOYSA-N

Data  8 IC50  4 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 12 hits for monomerid = 50414954   

TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50414954(CHEMBL575966)
Affinity DataEC50:  31.6nMAssay Description:Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50414954(CHEMBL575966)
Affinity DataIC50:  316nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50414954(CHEMBL575966)
Affinity DataIC50:  1.26E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50414954(CHEMBL575966)
Affinity DataEC50:  158nMAssay Description:Agonist activity at TGR5 expressed in human U2-OS cells assessed as increase in MRE/CRE-driven gene expression by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50414954(CHEMBL575966)
Affinity DataEC50:  31.6nMAssay Description:Agonist activity at human TGR5 expressed in melanophores assessed as melanosome dispersion by melanophore assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50414954(CHEMBL575966)
Affinity DataIC50:  1.26E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50414954(CHEMBL575966)
Affinity DataIC50:  316nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50414954(CHEMBL575966)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50414954(CHEMBL575966)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50414954(CHEMBL575966)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50414954(CHEMBL575966)
Affinity DataIC50: >5.01E+4nMAssay Description:Displacement of dofetilide from human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled bile acid receptor 1(Rattus norvegicus)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50414954(CHEMBL575966)
Affinity DataEC50:  2.00E+3nMAssay Description:Agonist activity at rat TGR5 expressed in melanophores assessed as melanosome dispersion by melanophore assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed