BDBM50100557 CHEMBL3321846

SMILES CN1CCN(C(=O)c2cnc(O)nc2Oc2cc(Cl)ccc2Cl)c2ccccc12

InChI Key InChIKey=ONHFEABHFHNJOU-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 = 50100557   

TargetCytochrome P450 2D6(Human)
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100557(CHEMBL3321846)
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(Human)
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100557(CHEMBL3321846)
Affinity DataEC50:  3.90nMAssay 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(Human)
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100557(CHEMBL3321846)
Affinity DataIC50:  1.67E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100557(CHEMBL3321846)
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(Human)
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100557(CHEMBL3321846)
Affinity DataIC50:  1.29E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50100557(CHEMBL3321846)
Affinity DataIC50:  260nMAssay Description:Inhibition of CYP3A4 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed