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BDBM50527480 CHEMBL4446232

SMILES: CC1=C(C(C2=C(CCCC2=O)N1)c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1C

InChI Key: InChIKey=HRGGIEKHJBVFBM-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50527480   
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
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527480
PNG
(CHEMBL4446232)
Show SMILES CC1=C(C(C2=C(CCCC2=O)N1)c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1C |t:1,4|
Show InChI InChI=1S/C25H23F3N2O2/c1-14-7-3-4-10-18(14)30-24(32)21-15(2)29-19-11-6-12-20(31)23(19)22(21)16-8-5-9-17(13-16)25(26,27)28/h3-5,7-10,13,22,29H,6,11-12H2,1-2H3,(H,30,32)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.55E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527480
PNG
(CHEMBL4446232)
Show SMILES CC1=C(C(C2=C(CCCC2=O)N1)c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1C |t:1,4|
Show InChI InChI=1S/C25H23F3N2O2/c1-14-7-3-4-10-18(14)30-24(32)21-15(2)29-19-11-6-12-20(31)23(19)22(21)16-8-5-9-17(13-16)25(26,27)28/h3-5,7-10,13,22,29H,6,11-12H2,1-2H3,(H,30,32)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.82E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
More data for this
Ligand-Target Pair