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BDBM50057620 4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide::CHEMBL29887

SMILES: COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F

InChI Key: InChIKey=CUJAYBPDKMIWOJ-UHFFFAOYSA-N

Data: 6 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50057620   
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))
BDBM50057620
PNG
(4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 1.54E+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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50057620
PNG
(4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9.30n/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
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50057620
PNG
(4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 9.33n/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)


Article DOI: 10.1021/jm020089e
BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50057620
PNG
(4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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Article
PubMed
n/an/a 9.33n/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)


Article DOI: 10.1021/jm0101343
BindingDB Entry DOI: 10.7270/Q2736S4D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50057620
PNG
(4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.55E+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)


Article DOI: 10.1021/jm020089e
BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50057620
PNG
(4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.30n/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)


Article DOI: 10.1016/s0960-894x(01)00825-3
BindingDB Entry DOI: 10.7270/Q2Q23ZJQ
More data for this
Ligand-Target Pair