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BDBM50313223 4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e][1,2]thiazine-3-carboxylic acid(3',4'-dimethyl-biphenyl-4-yl)-amide::CHEMBL1086884

SMILES: Cc1ccc(cc1C)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1

InChI Key: InChIKey=ATLCLKVCFGVILG-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50313223   
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 E synthase


(Homo sapiens (Human))
BDBM50313223
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES Cc1ccc(cc1C)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:16|
Show InChI InChI=1S/C23H20N2O4S/c1-14-7-8-17(13-15(14)2)16-9-11-18(12-10-16)24-23(27)21-22(26)19-5-3-4-6-20(19)30(28,29)25-21/h3-13,25-26H,1-2H3,(H,24,27)
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Article
PubMed
n/an/a<750n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA


Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50313223
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES Cc1ccc(cc1C)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:16|
Show InChI InChI=1S/C23H20N2O4S/c1-14-7-8-17(13-15(14)2)16-9-11-18(12-10-16)24-23(27)21-22(26)19-5-3-4-6-20(19)30(28,29)25-21/h3-13,25-26H,1-2H3,(H,24,27)
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PubMed
n/an/a>5.77E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...


Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50313223
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES Cc1ccc(cc1C)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:16|
Show InChI InChI=1S/C23H20N2O4S/c1-14-7-8-17(13-15(14)2)16-9-11-18(12-10-16)24-23(27)21-22(26)19-5-3-4-6-20(19)30(28,29)25-21/h3-13,25-26H,1-2H3,(H,24,27)
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PC sid
UniChem

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Article
PubMed
n/an/a<26n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA


Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair