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PubMed code 23013292

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
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))
BDBM50241260
PNG
((3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-h...)
Show SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
Show InChI InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Central Laboratory of German Pharmacists

Curated by ChEMBL


Assay Description
Inhibition of mPGES1


J Nat Prod 75: 1675-82 (2012)


Article DOI: 10.1021/np300009w
BindingDB Entry DOI: 10.7270/Q2P55PKB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%