BDBM50100558 CHEMBL3321850

SMILES CN1CCN(C(=O)C2(CC2)C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc12

InChI Key InChIKey=KWWIBMICKVLCQR-UHFFFAOYSA-N

Data  5 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 6 hits for monomerid = 50100558   

TargetG-protein coupled bile acid receptor 1(Human)
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100558(CHEMBL3321850)
Affinity DataEC50:  5.10nMAssay Description:Agonist activity at human TGR5 expressed in HEK293 cells assessed as cAMP level after 48 hrs by fluorescent assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100558(CHEMBL3321850)
Affinity DataIC50: 270nMAssay Description:Inhibition of CYP3A4 in human liver microsomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100558(CHEMBL3321850)
Affinity DataIC50: 780nMAssay Description:Inhibition of CYP2C19 in human liver microsomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100558(CHEMBL3321850)
Affinity DataIC50: 1.54E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100558(CHEMBL3321850)
Affinity DataIC50: 9.62E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100558(CHEMBL3321850)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2016
Entry Details Article
PubMed