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BDBM50049625 3-Chloro-4',5'-difluoro-4-methyl-[1,1';2',1'']terphenyl-4''-sulfonic acid amide::CHEMBL54327

SMILES: Cc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=XSEGDVOAKVYGFX-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50049625   
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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049625
PNG
(3-Chloro-4',5'-difluoro-4-methyl-[1,1';2',1'']terp...)
Show SMILES Cc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14ClF2NO2S/c1-11-2-3-13(8-17(11)20)16-10-19(22)18(21)9-15(16)12-4-6-14(7-5-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 1.65E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049625
PNG
(3-Chloro-4',5'-difluoro-4-methyl-[1,1';2',1'']terp...)
Show SMILES Cc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14ClF2NO2S/c1-11-2-3-13(8-17(11)20)16-10-19(22)18(21)9-15(16)12-4-6-14(7-5-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 3.02n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2


J Med Chem 44: 3223-30 (2001)


BindingDB Entry DOI: 10.7270/Q2736S4D
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049625
PNG
(3-Chloro-4',5'-difluoro-4-methyl-[1,1';2',1'']terp...)
Show SMILES Cc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14ClF2NO2S/c1-11-2-3-13(8-17(11)20)16-10-19(22)18(21)9-15(16)12-4-6-14(7-5-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair