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BDBM50208146 CHEMBL3901994::US9708270, 38

SMILES: OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(F)cc(Cl)c1F

InChI Key: InChIKey=GVMZIQCXQRZWJK-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50208146   
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
Omega-3 fatty acid receptor 1


(Mus musculus)
BDBM50208146
PNG
(CHEMBL3901994 | US9708270, 38)
Show SMILES OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(F)cc(Cl)c1F
Show InChI InChI=1S/C18H22ClF2NO2/c19-14-10-13(20)11-15(17(14)21)22-7-5-18(6-8-22)3-1-12(2-4-18)9-16(23)24/h10-12H,1-9H2,(H,23,24)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR120 expressed in U2OS cells assessed as induction of beta-arrestin2 recruitment after 90 mins by luminescence assay


ACS Med Chem Lett 8: 49-54 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00360
BindingDB Entry DOI: 10.7270/Q26W9D2Q
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens)
BDBM50208146
PNG
(CHEMBL3901994 | US9708270, 38)
Show SMILES OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(F)cc(Cl)c1F
Show InChI InChI=1S/C18H22ClF2NO2/c19-14-10-13(20)11-15(17(14)21)22-7-5-18(6-8-22)3-1-12(2-4-18)9-16(23)24/h10-12H,1-9H2,(H,23,24)
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PubMed
n/an/an/an/a 420n/an/an/an/a



Merck& Co.

Curated by ChEMBL


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


ACS Med Chem Lett 8: 49-54 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00360
BindingDB Entry DOI: 10.7270/Q26W9D2Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 120


(Homo sapiens)
BDBM50208146
PNG
(CHEMBL3901994 | US9708270, 38)
Show SMILES OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(F)cc(Cl)c1F
Show InChI InChI=1S/C18H22ClF2NO2/c19-14-10-13(20)11-15(17(14)21)22-7-5-18(6-8-22)3-1-12(2-4-18)9-16(23)24/h10-12H,1-9H2,(H,23,24)
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n/an/an/an/a 2.15E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
On the day before the measurement day, CHO cells expressing human GPR120 were plated at 10000 cells per well in a 384-well black plate (#3702, Cornin...


US Patent US9708270 (2017)

More data for this
Ligand-Target Pair
Omega-3 fatty acid receptor 1


(Mus musculus)
BDBM50208146
PNG
(CHEMBL3901994 | US9708270, 38)
Show SMILES OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(F)cc(Cl)c1F
Show InChI InChI=1S/C18H22ClF2NO2/c19-14-10-13(20)11-15(17(14)21)22-7-5-18(6-8-22)3-1-12(2-4-18)9-16(23)24/h10-12H,1-9H2,(H,23,24)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 190n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR120 expressed in CHOK1 cells assessed as induction of IP1 accumulation after 60 mins by HTRF assay


ACS Med Chem Lett 8: 49-54 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00360
BindingDB Entry DOI: 10.7270/Q26W9D2Q
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50208146
PNG
(CHEMBL3901994 | US9708270, 38)
Show SMILES OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(F)cc(Cl)c1F
Show InChI InChI=1S/C18H22ClF2NO2/c19-14-10-13(20)11-15(17(14)21)22-7-5-18(6-8-22)3-1-12(2-4-18)9-16(23)24/h10-12H,1-9H2,(H,23,24)
PDB

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DrugBank
GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 8.10E+3n/an/an/an/a



Merck& Co.

Curated by ChEMBL


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


ACS Med Chem Lett 8: 49-54 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00360
BindingDB Entry DOI: 10.7270/Q26W9D2Q
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Mus musculus)
BDBM50208146
PNG
(CHEMBL3901994 | US9708270, 38)
Show SMILES OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(F)cc(Cl)c1F
Show InChI InChI=1S/C18H22ClF2NO2/c19-14-10-13(20)11-15(17(14)21)22-7-5-18(6-8-22)3-1-12(2-4-18)9-16(23)24/h10-12H,1-9H2,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 190n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR120 expressed in U2OS cells assessed as induction of beta-arrestin2 recruitment after 90 mins by luminescence assay


ACS Med Chem Lett 8: 49-54 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00360
BindingDB Entry DOI: 10.7270/Q26W9D2Q
More data for this
Ligand-Target Pair