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BDBM50085594 CHEMBL3427702

SMILES: CCOC(CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1

InChI Key: InChIKey=PMWAAQCQJWJKES-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50085594   
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))
BDBM50085594
PNG
(CHEMBL3427702)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C18H18Cl2O4/c1-2-23-17(10-18(21)22)13-4-6-14(7-5-13)24-11-12-3-8-15(19)16(20)9-12/h3-9,17H,2,10-11H2,1H3,(H,21,22)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 6.20n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level after 60 mins by FLIPR assay


Bioorg Med Chem 23: 5546-65 (2015)


BindingDB Entry DOI: 10.7270/Q2K0762X
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50085594
PNG
(CHEMBL3427702)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C18H18Cl2O4/c1-2-23-17(10-18(21)22)13-4-6-14(7-5-13)24-11-12-3-8-15(19)16(20)9-12/h3-9,17H,2,10-11H2,1H3,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.20n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


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


ACS Med Chem Lett 6: 266-70 (2015)


Article DOI: 10.1021/ml500391n
BindingDB Entry DOI: 10.7270/Q26T0PBH
More data for this
Ligand-Target Pair