BDBM50003563 CHEMBL3234573

SMILES CCN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1cnc(nc1)C#N

InChI Key InChIKey=MJKSBDOYJVJJGS-GOSISDBHSA-N

Data  2 IC50  2 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 4 hits for monomerid = 50003563   

TargetG-protein coupled bile acid receptor 1(Mus musculus)
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50003563(CHEMBL3234573)
Affinity DataEC50:  17nMAssay 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
TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50003563(CHEMBL3234573)
Affinity DataEC50:  38nMAssay 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
TargetTranscriptional regulator ERG(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50003563(CHEMBL3234573)
Affinity DataIC50:  1.80E+4nMAssay Description:Inhibition of human ERG by patch clamp methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50003563(CHEMBL3234573)
Affinity DataIC50:  5.20E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed