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SMILES: CCCCCc1cc(OC(=O)c2c(O)cc(OC)cc2CCCCC)cc(O)c1C(O)=O

InChI Key: InChIKey=UTAQXQVSEKIWBB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50369679   
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
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50369679
PNG
(CHEMBL2006643)
Show SMILES CCCCCc1cc(OC(=O)c2c(O)cc(OC)cc2CCCCC)cc(O)c1C(O)=O
Show InChI InChI=1S/C25H32O7/c1-4-6-8-10-16-13-19(15-20(26)22(16)24(28)29)32-25(30)23-17(11-9-7-5-2)12-18(31-3)14-21(23)27/h12-15,26-27H,4-11H2,1-3H3,(H,28,29)
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n/an/a 430n/an/an/an/an/an/a



Abdul Wali Khan University Mardan

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human A549 cell microsomal membrane using pGH2 as substrate pretreated for 15 mins followed by substrate addition and measure...

Eur J Med Chem 153: 2-28 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.059
BindingDB Entry DOI: 10.7270/Q22R3V7F
More data for this
Ligand-Target Pair