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Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50019156'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50019156
PNG
(CHEBI:10274 | CHEMBL3289096)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@@H](-[#8])C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,c:6|
Show InChI InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1
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Similars
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair