BDBM50003338 CHEMBL3234567

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

InChI Key InChIKey=LDKJFGZHRKASEF-UHFFFAOYSA-N

Data  1 IC50  2 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 3 hits for monomerid = 50003338   

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

Curated by ChEMBL
LigandPNGBDBM50003338(CHEMBL3234567)
Affinity DataEC50:  170nMAssay 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 Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50003338(CHEMBL3234567)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetG-protein coupled bile acid receptor 1(Human)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50003338(CHEMBL3234567)
Affinity DataEC50:  440nMAssay 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 Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed