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SMILES: CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cccs2)cc(OC2CCCC2)n1

InChI Key: InChIKey=UWEXWKJAXDNZFK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50373565   
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))
BDBM50373565
PNG
(CHEMBL271348)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cccs2)cc(OC2CCCC2)n1
Show InChI InChI=1S/C21H23N3O3S2/c1-29(25,26)18-10-8-15(9-11-18)21-23-19(22-14-17-7-4-12-28-17)13-20(24-21)27-16-5-2-3-6-16/h4,7-13,16H,2-3,5-6,14H2,1H3,(H,22,23,24)
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Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Faes Farma S.A.

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in human whole blood


Bioorg Med Chem 16: 2183-99 (2008)


Article DOI: 10.1016/j.bmc.2007.11.079
BindingDB Entry DOI: 10.7270/Q2GX4CDQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50373565
PNG
(CHEMBL271348)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cccs2)cc(OC2CCCC2)n1
Show InChI InChI=1S/C21H23N3O3S2/c1-29(25,26)18-10-8-15(9-11-18)21-23-19(22-14-17-7-4-12-28-17)13-20(24-21)27-16-5-2-3-6-16/h4,7-13,16H,2-3,5-6,14H2,1H3,(H,22,23,24)
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Article
n/an/a 7.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 in Homo sapiens (human) whole blood


Citation and Details

Article DOI: 10.1007/s00044-011-9566-8
BindingDB Entry DOI: 10.7270/Q2Q81GZM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50373565
PNG
(CHEMBL271348)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cccs2)cc(OC2CCCC2)n1
Show InChI InChI=1S/C21H23N3O3S2/c1-29(25,26)18-10-8-15(9-11-18)21-23-19(22-14-17-7-4-12-28-17)13-20(24-21)27-16-5-2-3-6-16/h4,7-13,16H,2-3,5-6,14H2,1H3,(H,22,23,24)
PDB
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem

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Article
n/an/a 1.33E+8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 in Homo sapiens (human) whole blood


Citation and Details

Article DOI: 10.1007/s00044-011-9566-8
BindingDB Entry DOI: 10.7270/Q2Q81GZM
More data for this
Ligand-Target Pair