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SMILES: CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N1CCCC(CO)C1)C(F)(F)F

InChI Key: InChIKey=KVUASUDFPOEMLR-UHFFFAOYSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50078593   
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 1


(Homo sapiens (Human))
BDBM50078593
PNG
(CHEMBL49394 | [3'-(4-Methanesulfonyl-phenyl)-5'-tr...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N1CCCC(CO)C1)C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O3S/c1-28(26,27)16-6-4-14(5-7-16)17-9-15(19(20,21)22)10-23-18(17)24-8-2-3-13(11-24)12-25/h4-7,9-10,13,25H,2-3,8,11-12H2,1H3
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PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human whole blood (HWB) assay


Bioorg Med Chem Lett 9: 1715-20 (1999)


BindingDB Entry DOI: 10.7270/Q2BV7FSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50078593
PNG
(CHEMBL49394 | [3'-(4-Methanesulfonyl-phenyl)-5'-tr...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N1CCCC(CO)C1)C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O3S/c1-28(26,27)16-6-4-14(5-7-16)17-9-15(19(20,21)22)10-23-18(17)24-8-2-3-13(11-24)12-25/h4-7,9-10,13,25H,2-3,8,11-12H2,1H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a<200n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in human whole blood (HWB) assay


Bioorg Med Chem Lett 9: 1715-20 (1999)


BindingDB Entry DOI: 10.7270/Q2BV7FSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50078593
PNG
(CHEMBL49394 | [3'-(4-Methanesulfonyl-phenyl)-5'-tr...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N1CCCC(CO)C1)C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O3S/c1-28(26,27)16-6-4-14(5-7-16)17-9-15(19(20,21)22)10-23-18(17)24-8-2-3-13(11-24)12-25/h4-7,9-10,13,25H,2-3,8,11-12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 800n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in human whole blood (HWB) assay


Bioorg Med Chem Lett 9: 1715-20 (1999)


BindingDB Entry DOI: 10.7270/Q2BV7FSP
More data for this
Ligand-Target Pair