BDBM50100556 CHEMBL3321845

SMILES CN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12

InChI Key InChIKey=NHEYHWKFXOLIOV-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 = 50100556   

TargetCytochrome P450 2D6(Homo sapiens (Human))
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100556(CHEMBL3321845)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100556(CHEMBL3321845)
Affinity DataEC50:  3.5nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100556(CHEMBL3321845)
Affinity DataIC50:  1.61E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100556(CHEMBL3321845)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100556(CHEMBL3321845)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100556(CHEMBL3321845)
Affinity DataIC50:  250nMAssay Description:Inhibition of CYP3A4 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed