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PubMed code 16562850

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 G/H synthase 2


(Homo sapiens (Human))
BDBM50259771
PNG
(1beta,20-(S)-dihydroxydammar-24(25)-ene-3beta-O-st...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6@H]1-[#6]-[#6@@H](-[#8])[C@@]2([#6])[#6@@H](-[#6]-[#6][C@]3([#6])[#6@@H]2-[#6]-[#6]-[#6@@H]2-[#6@H](-[#6]-[#6][C@@]32[#6])[C@@]([#6])([#8])[#6]-[#6]\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |r|
Show InChI InChI=1S/C48H86O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-43(50)52-42-35-41(49)48(9)39(44(42,4)5)31-34-46(7)40(48)29-28-37-38(30-33-45(37,46)6)47(8,51)32-25-26-36(2)3/h26,37-42,49,51H,10-25,27-35H2,1-9H3/t37-,38+,39+,40+,41-,42+,45-,46-,47+,48+/m1/s1
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Similars

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Mahidol University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


J Nat Prod 69: 421-4 (2006)


Article DOI: 10.1021/np058112x
BindingDB Entry DOI: 10.7270/Q2XK8FBR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%