BDBM50228552 4-(2-oxo-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)piperazine-4-carbonyl)benzonitrile hydrochloride::CHEMBL534958

SMILES O=C(N1CCN(C(=O)C1)c1ccc(OCCCN2CCCCC2)cc1)c1ccc(cc1)C#N

InChI Key InChIKey=LTJFSEMUOLPLGO-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 50228552   

TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50228552(4-(2-oxo-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)pi...)
Affinity DataIC50:  7.70E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50228552(4-(2-oxo-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)pi...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CYP3A4 using 7-{3-(4-phenylpiperazin-1-ylmethyl)benzyl}resorufin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C19(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50228552(4-(2-oxo-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)pi...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50228552(4-(2-oxo-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)pi...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50228552(4-(2-oxo-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)pi...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed