BDBM50247157 (3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)phenyl)pyridin-2-yl)(4-(4-fluorophenylamino)piperidin-1-yl)methanone::CHEMBL473921::{3-[4-((3R,5S)-3,5-Dimethyl-piperazin-1-ylmethyl)-phenyl]-pyridin-2-yl}-[4-(4-fluoro-phenylamino)-piperidin-1-yl]-methanone

SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccnc2C(=O)N2CCC(CC2)Nc2ccc(F)cc2)C[C@@H](C)N1

InChI Key InChIKey=CYEIOVYZTVJICS-SZPZYZBQSA-N

Data  14 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50247157   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMotilin receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataEC50:  19.9nMAssay Description:Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of human CYP3A4 expressed in Escherichia coli using diethoxyfluorescein substrate measured in 0 to 5 mins by time dependent inhibition ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of human CYP3A4 expressed in Escherichia coli using diethoxyfluorescein substrate measured in 25 to 30 mins by time dependent inhibition a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataIC50: >2.30E+4nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataIC50: >2.30E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataIC50: >2.30E+4nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataIC50: >2.30E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMotilin receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataEC50:  3.98nMAssay Description:Agonist activity at human recombinant motilin receptor expressed in CHO cells assessed as increase in intracellular calcium by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataEC50:  100nMAssay Description:Agonist activity at human Ghrelin receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataIC50: >3.16E+4nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataIC50: >3.16E+4nMAssay Description:Inhibition of human ERG bindingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataEC50:  100nMAssay Description:Inhibition of human Ghrelin receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50247157((3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin) using phenylpiperazinylmethylbenzylresofurin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed