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BDBM50196400 CHEMBL3979588

SMILES: Fc1cc(Oc2ccc(cc2)C#N)cc(c1)N1Cc2ccccc2S1(=O)=O

InChI Key: InChIKey=AEESKWDRFZVEKJ-UHFFFAOYSA-N

Data: 1 IC50  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 3 hits for monomerid = 50196400   
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 4


(Homo sapiens (Human))
BDBM50196400
PNG
(CHEMBL3979588)
Show SMILES Fc1cc(Oc2ccc(cc2)C#N)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C20H13FN2O3S/c21-16-9-17(23-13-15-3-1-2-4-20(15)27(23,24)25)11-19(10-16)26-18-7-5-14(12-22)6-8-18/h1-11H,13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.66E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at C-terminal YFP-tagged human FFA4 expressed in HEK293 cells in presence of coelentrazine h by BRET based beta-arrestin-2 interacti...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50196400
PNG
(CHEMBL3979588)
Show SMILES Fc1cc(Oc2ccc(cc2)C#N)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C20H13FN2O3S/c21-16-9-17(23-13-15-3-1-2-4-20(15)27(23,24)25)11-19(10-16)26-18-7-5-14(12-22)6-8-18/h1-11H,13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.34E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA4 expressed in human Flp-In T-REx293 cells by Fura2-AM dye based calcium mobilization assay


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50196400
PNG
(CHEMBL3979588)
Show SMILES Fc1cc(Oc2ccc(cc2)C#N)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C20H13FN2O3S/c21-16-9-17(23-13-15-3-1-2-4-20(15)27(23,24)25)11-19(10-16)26-18-7-5-14(12-22)6-8-18/h1-11H,13H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 617n/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye b...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair