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BDBM50292592 CHEMBL506367::fomitoside F

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@H](-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)C([#6])([#6])[#6@@H]1-[#6]-[#6]-3)-[#6](=O)-[#8]-[#6@@H]-1-[#8]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]

InChI Key: InChIKey=NLXRBHRYKXMKNJ-UHWFYCGOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50292592   
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 G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50292592
PNG
(CHEMBL506367 | fomitoside F)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@H](-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)C([#6])([#6])[#6@@H]1-[#6]-[#6]-3)-[#6](=O)-[#8]-[#6@@H]-1-[#8]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r,c:12|
Show InChI InChI=1S/C37H58O8/c1-21(2)10-9-11-23(32(42)45-33-31(41)30(40)27(39)20-43-33)24-14-18-37(8)26-12-13-28-34(4,5)29(44-22(3)38)16-17-35(28,6)25(26)15-19-36(24,37)7/h10,23-24,27-31,33,39-41H,9,11-20H2,1-8H3/t23-,24-,27-,28+,29-,30+,31-,33+,35-,36-,37+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 by liquid scintillation counter


J Nat Prod 68: 69-73 (2005)


Article DOI: 10.1021/np040130b
BindingDB Entry DOI: 10.7270/Q2S1828J
More data for this
Ligand-Target Pair