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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 = 'BDBM50138453'   
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))		BDBM50138453
PNG
(2-Hydroxymethyl-4-[5-(2-methoxy-phenyl)-3-trifluor...)
Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(c(CO)c1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O4S/c1-28-15-5-3-2-4-13(15)14-9-17(18(19,20)21)23-24(14)12-6-7-16(29(22,26)27)11(8-12)10-25/h2-9,25H,10H2,1H3,(H2,22,26,27)
PDB

KEGG

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PC cid
PC sid
UniChem

Patents

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PubMed
n/an/a 1.15E+6n/an/an/an/an/an/a



Discovery Research-Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 from ram seminal vesicles

Bioorg Med Chem Lett 14: 499-504 (2003)


BindingDB Entry DOI: 10.7270/Q280522Q
More data for this
Ligand-Target Pair