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SMILES: OC(=O)C1CN(C(=O)C1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1

InChI Key: InChIKey=XDBUJJZDYLSKDH-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50267119   
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


(Mus musculus)
BDBM50267119
PNG
(CHEMBL1532576)
Show SMILES OC(=O)C1CN(C(=O)C1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl2NO4/c19-13-2-1-11(16(20)8-13)10-25-15-5-3-14(4-6-15)21-9-12(18(23)24)7-17(21)22/h1-6,8,12H,7,9-10H2,(H,23,24)
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Article
PubMed
n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay


J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50267119
PNG
(CHEMBL1532576)
Show SMILES OC(=O)C1CN(C(=O)C1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl2NO4/c19-13-2-1-11(16(20)8-13)10-25-15-5-3-14(4-6-15)21-9-12(18(23)24)7-17(21)22/h1-6,8,12H,7,9-10H2,(H,23,24)
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Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay


J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair