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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 = 'BDBM50297386'   
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


(Homo sapiens (Human))		BDBM50297386
PNG
(3-(3-(tert-butylthio)-1-(3-(6-methoxypyridin-3-yl)...)
Show SMILES COc1ccc(cn1)-c1cccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)c1
Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-28(43-23-27-12-7-8-17-37-27)14-15-30(29)39(31(33)20-36(4,5)34(40)41)22-24-10-9-11-25(18-24)26-13-16-32(42-6)38-21-26/h7-19,21H,20,22-23H2,1-6H3,(H,40,41)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood

J Med Chem 52: 5803-15 (2009)


Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1
More data for this
Ligand-Target Pair