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SMILES: COc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(cc1)[C@H]1C[C@@H]1C(O)=O

InChI Key: InChIKey=BKBCOLUTTHSRPO-MOPGFXCFSA-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 4 hits for monomerid = 50265895   
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))
BDBM50265895
PNG
(CHEMBL4097537)
Show SMILES COc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(cc1)[C@H]1C[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C23H19N3O3/c1-29-22-17-10-9-16(12-20(17)26(25-22)21-4-2-3-11-24-21)14-5-7-15(8-6-14)18-13-19(18)23(27)28/h2-12,18-19H,13H2,1H3,(H,27,28)/t18-,19+/m1/s1
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n/an/an/an/a 470n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay


J Med Chem 60: 3187-3197 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00210
BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)
BDBM50265895
PNG
(CHEMBL4097537)
Show SMILES COc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(cc1)[C@H]1C[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C23H19N3O3/c1-29-22-17-10-9-16(12-20(17)26(25-22)21-4-2-3-11-24-21)14-5-7-15(8-6-14)18-13-19(18)23(27)28/h2-12,18-19H,13H2,1H3,(H,27,28)/t18-,19+/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in HEK293 cells assessed as increase in intracellular calcium level after 5 mins by FLUO-4-AM dye-based FLI...


J Med Chem 60: 3187-3197 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00210
BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Mus musculus)
BDBM50265895
PNG
(CHEMBL4097537)
Show SMILES COc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(cc1)[C@H]1C[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C23H19N3O3/c1-29-22-17-10-9-16(12-20(17)26(25-22)21-4-2-3-11-24-21)14-5-7-15(8-6-14)18-13-19(18)23(27)28/h2-12,18-19H,13H2,1H3,(H,27,28)/t18-,19+/m1/s1
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PC sid
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PubMed
n/an/an/an/a 410n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay


J Med Chem 60: 3187-3197 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00210
BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50265895
PNG
(CHEMBL4097537)
Show SMILES COc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(cc1)[C@H]1C[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C23H19N3O3/c1-29-22-17-10-9-16(12-20(17)26(25-22)21-4-2-3-11-24-21)14-5-7-15(8-6-14)18-13-19(18)23(27)28/h2-12,18-19H,13H2,1H3,(H,27,28)/t18-,19+/m1/s1
PDB

KEGG

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antibodypedia
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4D (unknown origin)


J Med Chem 60: 3187-3197 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00210
BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
More data for this
Ligand-Target Pair