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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50510099'   
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 1


(Ovis aries (Sheep))
BDBM50510099
PNG
(CHEMBL4517895)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c23)cc1-[#8]
Show InChI InChI=1S/C25H30O4/c1-16(2)6-9-19-18(10-7-17-8-11-23(28-5)22(27)14-17)20-12-13-25(3,4)29-24(20)15-21(19)26/h6-8,10-11,14-15,26-27H,9,12-13H2,1-5H3/b10-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA


J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair