BDBM50003407 CHEMBL3234568

SMILES CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N

InChI Key InChIKey=YMFDSPVIOOOQTH-HXUWFJFHSA-N

Data  5 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50003407   

TargetG-protein coupled bile acid receptor 1(Mouse)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50003407(CHEMBL3234568)
Affinity DataEC50:  1nMAssay Description:Agonist activity at mouse TGR5 expressed in Jurkat cells assessed as intracellular cAMP level after 1 hr by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50003407(CHEMBL3234568)
Affinity DataIC50: <1.00E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTranscriptional regulator ERG(Human)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50003407(CHEMBL3234568)
Affinity DataIC50:  3.20E+3nMAssay Description:Inhibition of human ERG by patch clamp methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled bile acid receptor 1(Human)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50003407(CHEMBL3234568)
Affinity DataEC50:  3nMAssay Description:Agonist activity at human TGR5 expressed in Jurkat cells assessed as intracellular cAMP level after 1 hr by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled bile acid receptor 1(Human)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50003407(CHEMBL3234568)
Affinity DataIC50:  90nMAssay Description:Agonist activity at TGR5 in human PBMC assessed as inhibition of LPS-induced TNFalpha production preincubated for 30 mins followed by LPS stimulation...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Human)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50003407(CHEMBL3234568)
Affinity DataIC50:  4.70E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Human)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50003407(CHEMBL3234568)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled bile acid receptor 1(Mouse)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50003407(CHEMBL3234568)
Affinity DataEC50:  296nMAssay Description:Agonist activity at TGR5 in mouse GLUTag cells assessed as secretion of GLP-1 after 2 hrs by HEK293 cell-based luciferase reporter gene assay in pres...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed