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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50102307'   
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 2


(Homo sapiens (Human))		BDBM50102307
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES Cc1cc(C)n2nc(c(-c3ccc(F)cc3)c2n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18FN3O2S/c1-13-12-14(2)25-21(23-13)19(15-4-8-17(22)9-5-15)20(24-25)16-6-10-18(11-7-16)28(3,26)27/h4-12H,1-3H3
PDB
MMDB

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PC cid
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Similars
PubMed
n/an/a 154n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in 143.98.2 from human osteosarcoma cells

J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair