BindingDB logo
myBDB logout

BDBM50207059 CHEMBL3932664

SMILES: COc1cc(OC2CC2)cc(c1F)-c1ccc2O[C@@H](CCc3nnn[nH]3)CCc2c1

InChI Key: InChIKey=HDJUXRGWNBPXKN-XISACWJONA-N

Data: 3 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 = 50207059   
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))
BDBM50207059
PNG
(CHEMBL3932664)
Show SMILES COc1cc(OC2CC2)cc(c1F)-c1ccc2O[C@@H](CCc3nnn[nH]3)CCc2c1
Show InChI InChI=1/C22H23FN4O3/c1-28-20-12-17(29-15-5-6-15)11-18(22(20)23)13-3-8-19-14(10-13)2-4-16(30-19)7-9-21-24-26-27-25-21/h3,8,10-12,15-16H,2,4-7,9H2,1H3,(H,24,25,26,27)/t16-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells assessed as increase in IP1 accumulation after 60 mins by HTRF assay


ACS Med Chem Lett 8: 96-101 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00394
BindingDB Entry DOI: 10.7270/Q2R213CP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50207059
PNG
(CHEMBL3932664)
Show SMILES COc1cc(OC2CC2)cc(c1F)-c1ccc2O[C@@H](CCc3nnn[nH]3)CCc2c1
Show InChI InChI=1/C22H23FN4O3/c1-28-20-12-17(29-15-5-6-15)11-18(22(20)23)13-3-8-19-14(10-13)2-4-16(30-19)7-9-21-24-26-27-25-21/h3,8,10-12,15-16H,2,4-7,9H2,1H3,(H,24,25,26,27)/t16-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 51n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR120 short isoform expressed in CHOK1 cells assessed as increase in IP1 accumulation after 60 mins by HTRF assay


ACS Med Chem Lett 8: 96-101 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00394
BindingDB Entry DOI: 10.7270/Q2R213CP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50207059
PNG
(CHEMBL3932664)
Show SMILES COc1cc(OC2CC2)cc(c1F)-c1ccc2O[C@@H](CCc3nnn[nH]3)CCc2c1
Show InChI InChI=1/C22H23FN4O3/c1-28-20-12-17(29-15-5-6-15)11-18(22(20)23)13-3-8-19-14(10-13)2-4-16(30-19)7-9-21-24-26-27-25-21/h3,8,10-12,15-16H,2,4-7,9H2,1H3,(H,24,25,26,27)/t16-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 32n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR120 short isoform expressed in CHOK1 cells assessed as beta-arrestin recruitment after 90 mins by luminescence assay


ACS Med Chem Lett 8: 96-101 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00394
BindingDB Entry DOI: 10.7270/Q2R213CP
More data for this
Ligand-Target Pair