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BDBM50019085 CHEMBL3288346

SMILES: Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)s2)c1

InChI Key: InChIKey=URSOBHRUTRGXRS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50019085   
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 1


(Homo sapiens (Human))
BDBM50019085
PNG
(CHEMBL3288346)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)s2)c1
Show InChI InChI=1S/C22H22O3S/c1-15-5-3-6-16(2)22(15)18-8-4-7-17(13-18)14-25-21-12-10-19(26-21)9-11-20(23)24/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 52n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019085
PNG
(CHEMBL3288346)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)s2)c1
Show InChI InChI=1S/C22H22O3S/c1-15-5-3-6-16(2)22(15)18-8-4-7-17(13-18)14-25-21-12-10-19(26-21)9-11-20(23)24/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,23,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 840n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
G-protein coupled receptor 120


(Homo sapiens (Human))
BDBM50019085
PNG
(CHEMBL3288346)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)s2)c1
Show InChI InChI=1S/C22H22O3S/c1-15-5-3-6-16(2)22(15)18-8-4-7-17(13-18)14-25-21-12-10-19(26-21)9-11-20(23)24/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Agonist activity at human GPR120 expressed in CHO cells assessed as increase in intracellular Ca2+ flux by Fluo 4-AM dye based assay


J Med Chem 60: 2697-2717 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01357
BindingDB Entry DOI: 10.7270/Q25141GQ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50019085
PNG
(CHEMBL3288346)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)s2)c1
Show InChI InChI=1S/C22H22O3S/c1-15-5-3-6-16(2)22(15)18-8-4-7-17(13-18)14-25-21-12-10-19(26-21)9-11-20(23)24/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells by luciferase reporter gene assay


J Med Chem 60: 2697-2717 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01357
BindingDB Entry DOI: 10.7270/Q25141GQ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019085
PNG
(CHEMBL3288346)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(O)=O)s2)c1
Show InChI InChI=1S/C22H22O3S/c1-15-5-3-6-16(2)22(15)18-8-4-7-17(13-18)14-25-21-12-10-19(26-21)9-11-20(23)24/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 32n/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular Ca2+ flux by Fluo 4-AM dye based assay


J Med Chem 60: 2697-2717 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01357
BindingDB Entry DOI: 10.7270/Q25141GQ
More data for this
Ligand-Target Pair