BDBM50428095 CHEMBL2331646

SMILES CCNc1nc2c(c(n1)C(=O)N)CN(CC2)C(=O)CCc3ccc(cc3)C(C)C

InChI Key InChIKey=BXJNYBTXBRHAEU-UHFFFAOYSA-N

Data  4 EC50

PDB links: 2 PDB IDs match this monomer.

  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 4 hits for monomerid = 50428095   

TargetG-protein coupled bile acid receptor 1(Mouse)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428095(CHEMBL2331646)
Affinity DataEC50:  5.62E+3nMAssay Description:Agonist activity at mouse TGR5 expressed in deoxycycline-induced CHO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
LigandPNGBDBM50428095(CHEMBL2331646)
Affinity DataEC50:  3.93E+3nMAssay Description:Agonist activity at rat TGR5 expressed in deoxycycline-induced CHO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF com...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetG-protein coupled bile acid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428095(CHEMBL2331646)
Affinity DataEC50:  158nMAssay Description:Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetG-protein coupled bile acid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428095(CHEMBL2331646)
Affinity DataEC50:  2.5nMAssay Description:Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)