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BDBM50057567 4-(5-m-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide::CHEMBL29923

SMILES: Cc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F

InChI Key: InChIKey=MPVPOTMPKLOUHZ-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50057567   
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))
BDBM50057567
PNG
(4-(5-m-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benze...)
Show SMILES Cc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)15-10-16(17(18,19)20)22-23(15)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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Article
PubMed
n/an/a 1.81E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50057567
PNG
(4-(5-m-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benze...)
Show SMILES Cc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)15-10-16(17(18,19)20)22-23(15)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
PDB
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CHEMBL
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50057567
PNG
(4-(5-m-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benze...)
Show SMILES Cc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)15-10-16(17(18,19)20)22-23(15)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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PubMed
n/an/a 110n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50057567
PNG
(4-(5-m-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benze...)
Show SMILES Cc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)15-10-16(17(18,19)20)22-23(15)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 110n/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
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50057567
PNG
(4-(5-m-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benze...)
Show SMILES Cc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)15-10-16(17(18,19)20)22-23(15)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
PDB

KEGG

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CHEMBL
MCE
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PubMed
n/an/a 1.82E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)


J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50057567
PNG
(4-(5-m-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benze...)
Show SMILES Cc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)15-10-16(17(18,19)20)22-23(15)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
PDB
MMDB

NCI pathway
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KEGG

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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


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PubMed
n/an/a 110n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin G/H synthase 2 at 25 degrees.


Bioorg Med Chem Lett 12: 267-70 (2002)


BindingDB Entry DOI: 10.7270/Q2Q23ZJQ
More data for this
Ligand-Target Pair