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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 = 'BDBM50495268'   
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


(Mus musculus)		BDBM50495268
PNG
(CHEMBL3104542)
Show SMILES Cc1c(CC(=O)NC(CCO[N+]([O-])=O)C(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C24H24FN3O8S/c1-15-17(13-23(29)26-21(24(30)31)10-11-36-28(32)33)12-22(27(15)19-5-3-4-18(25)14-19)16-6-8-20(9-7-16)37(2,34)35/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,26,29)(H,30,31)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincubated for 15...

Bioorg Med Chem 22: 772-86 (2014)


Article DOI: 10.1016/j.bmc.2013.12.008
BindingDB Entry DOI: 10.7270/Q2K0777K
More data for this
Ligand-Target Pair