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SMILES: Cc1c(CC(=O)OCCCCON(=O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1

InChI Key: InChIKey=HZAHJVLKUXBDIY-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 185709   
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))		BDBM185709
PNG
(US9162979, 12)
Show SMILES Cc1c(CC(=O)OCCCCON(=O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C24H25FN2O7S/c1-17-19(15-24(28)33-12-3-4-13-34-27(29)30)14-23(26(17)21-7-5-6-20(25)16-21)18-8-10-22(11-9-18)35(2,31)32/h5-11,14,16H,3-4,12-13,15H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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KEGG
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 69n/an/an/an/an/a37



ROTTAPHARM BIOTECH S.R.L.

US Patent


Assay Description
The murine monocyte/macrophage cell line J774 is grown in Dulbecco's modified Eagle's medium (DMEM), enriched with glutamine (2 mM), HEPES (25 mM), p...

US Patent US9162979 (2015)


BindingDB Entry DOI: 10.7270/Q23T9G01
More data for this
Ligand-Target Pair