BDBM50003573 CHEMBL3234871

SMILES N#Cc1ccc(CCNC(=O)[C@@H]2CCN2c2cc(-c3ccc([C@H]4CC[C@H](C(=O)O)CC4)cc3)nc(C(F)(F)F)n2)cc1

InChI Key InChIKey=DDAWTSCZLAACFR-UHFFFAOYSA-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 7 hits for monomerid = 50003573   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50003573BDBM50003573(CHEMBL3234871)
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 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
LigandChemical structure of BindingDB Monomer ID 50003573BDBM50003573(CHEMBL3234871)
Affinity DataEC50:  15nMAssay 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
TargetG-protein coupled bile acid receptor 1(Human)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50003573BDBM50003573(CHEMBL3234871)
Affinity DataIC50: 215nMAssay 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 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
LigandChemical structure of BindingDB Monomer ID 50003573BDBM50003573(CHEMBL3234871)
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
TargetCytochrome P450 2D6(Human)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50003573BDBM50003573(CHEMBL3234871)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50003573BDBM50003573(CHEMBL3234871)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetTranscriptional regulator ERG(Human)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50003573BDBM50003573(CHEMBL3234871)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG by patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed