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SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3cccc(Br)c3)c2c1

InChI Key: InChIKey=DDKPQYHRYNCYMI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50100396   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50100396
PNG
(CHEMBL24407 | {3-[4-(3-Bromo-phenyl)-thiazol-2-ylm...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3cccc(Br)c3)c2c1
Show InChI InChI=1S/C27H20BrClN2O2S/c1-16-22(14-26-30-24(15-34-26)18-4-3-5-19(28)12-18)23-13-21(33-2)10-11-25(23)31(16)27(32)17-6-8-20(29)9-7-17/h3-13,15H,14H2,1-2H3
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PubMed
n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
More data for this
Ligand-Target Pair