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BDBM50527504 CHEMBL4470372

SMILES: CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1cccc(C)c1

InChI Key: InChIKey=LVGNCHBAIBJZCL-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50527504   
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))
BDBM50527504
PNG
(CHEMBL4470372)
Show SMILES CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1cccc(C)c1 |t:1,10|
Show InChI InChI=1S/C22H22N2O3/c1-13-6-3-7-15(12-13)24-22(26)19-14(2)23-16-8-4-9-17(25)20(16)21(19)18-10-5-11-27-18/h3,5-7,10-12,21,23H,4,8-9H2,1-2H3,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.59E+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
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527504
PNG
(CHEMBL4470372)
Show SMILES CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1cccc(C)c1 |t:1,10|
Show InChI InChI=1S/C22H22N2O3/c1-13-6-3-7-15(12-13)24-22(26)19-14(2)23-16-8-4-9-17(25)20(16)21(19)18-10-5-11-27-18/h3,5-7,10-12,21,23H,4,8-9H2,1-2H3,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.57E+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 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