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1 similar compounds to monomer 21358

Compile data set for download or QSAR
Wt: 404.4
BDBM50266535

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50266535   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50266535
PNG
(CHEMBL4082345)
Show SMILES CCn1c2nnc(SCc3ccc(cc3)C(F)(F)F)n2c2ccccc2c1=O
Show InChI InChI=1S/C19H15F3N4OS/c1-2-25-16(27)14-5-3-4-6-15(14)26-17(25)23-24-18(26)28-11-12-7-9-13(10-8-12)19(20,21)22/h3-10H,2,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 1.31E+3n/an/an/an/a



Universities of Lille

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay


J Med Chem 60: 4185-4211 (2017)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Mus musculus)
BDBM50266535
PNG
(CHEMBL4082345)
Show SMILES CCn1c2nnc(SCc3ccc(cc3)C(F)(F)F)n2c2ccccc2c1=O
Show InChI InChI=1S/C19H15F3N4OS/c1-2-25-16(27)14-5-3-4-6-15(14)26-17(25)23-24-18(26)28-11-12-7-9-13(10-8-12)19(20,21)22/h3-10H,2,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 1.68E+3n/an/an/an/a



Universities of Lille

Curated by ChEMBL


Assay Description
Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay


J Med Chem 60: 4185-4211 (2017)

More data for this
Ligand-Target Pair