BDBM50428101 CHEMBL2331648

SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1

InChI Key InChIKey=RJTJMAVCPOTSLB-UHFFFAOYSA-N

Data  8 IC50  6 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 14 hits for monomerid = 50428101   

TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428101(CHEMBL2331648)
Affinity DataEC50:  75nMAssay Description:Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycyclineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428101(CHEMBL2331648)
Affinity DataEC50:  2.30nMAssay Description:Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428101(CHEMBL2331648)
Affinity DataEC50:  147nMAssay Description:Agonist activity at human recombinant TGR5 expressed in NCI-H716 cells assessed as increase in intracellular cAMP measured after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428101(CHEMBL2331648)
Affinity DataEC50:  110nMAssay Description:Agonist activity at human TGR5 in human PBMC cells assessed as increase in intracellular cAMP measured after 1 hr by human whole blood assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428101(CHEMBL2331648)
Affinity DataEC50:  75nMAssay 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 DepthDetails ArticlePubMed
TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428101(CHEMBL2331648)
Affinity DataEC50:  2.30nMAssay 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 DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428101(CHEMBL2331648)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity at human FXR assessed as ligand dependent binding of cofactor to the receptor-ligand complex by TRF methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428101(CHEMBL2331648)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428101(CHEMBL2331648)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428101(CHEMBL2331648)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428101(CHEMBL2331648)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428101(CHEMBL2331648)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428101(CHEMBL2331648)
Affinity DataIC50: >1.00E+4nMAssay Description:Agonist activity at GST-tagged human FXR assessed as binding of receptor to cofactor by TRF methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50428101(CHEMBL2331648)
Affinity DataIC50:  4.60E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed