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SMILES: Clc1cc(Oc2ccccn2)cc(c1)N1Cc2ccccc2S1(=O)=O

InChI Key: InChIKey=ROJVYIHWPWITEK-UHFFFAOYSA-N

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 5 hits for monomerid = 50196402   
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))
BDBM50196402
PNG
(CHEMBL3910333)
Show SMILES Clc1cc(Oc2ccccn2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C18H13ClN2O3S/c19-14-9-15(11-16(10-14)24-18-7-3-4-8-20-18)21-12-13-5-1-2-6-17(13)25(21,22)23/h1-11H,12H2
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Article
PubMed
n/an/an/an/a 138n/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))
BDBM50196402
PNG
(CHEMBL3910333)
Show SMILES Clc1cc(Oc2ccccn2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C18H13ClN2O3S/c19-14-9-15(11-16(10-14)24-18-7-3-4-8-20-18)21-12-13-5-1-2-6-17(13)25(21,22)23/h1-11H,12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 39n/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))
BDBM50196402
PNG
(CHEMBL3910333)
Show SMILES Clc1cc(Oc2ccccn2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C18H13ClN2O3S/c19-14-9-15(11-16(10-14)24-18-7-3-4-8-20-18)21-12-13-5-1-2-6-17(13)25(21,22)23/h1-11H,12H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+5n/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 TUG770-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
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50196402
PNG
(CHEMBL3910333)
Show SMILES Clc1cc(Oc2ccccn2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C18H13ClN2O3S/c19-14-9-15(11-16(10-14)24-18-7-3-4-8-20-18)21-12-13-5-1-2-6-17(13)25(21,22)23/h1-11H,12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 40n/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


(Mus musculus)
BDBM50196402
PNG
(CHEMBL3910333)
Show SMILES Clc1cc(Oc2ccccn2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C18H13ClN2O3S/c19-14-9-15(11-16(10-14)24-18-7-3-4-8-20-18)21-12-13-5-1-2-6-17(13)25(21,22)23/h1-11H,12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 72n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity mouse FFA4 by Gq-dependent 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