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BDBM50110482 1-(4-Methanesulfonyl-phenyl)-3-methyl-5-phenyl-1H-pyrazole::CHEMBL349518

SMILES: Cc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=IYQBBPZGSNHUDK-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50110482   
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))
BDBM50110482
PNG
(1-(4-Methanesulfonyl-phenyl)-3-methyl-5-phenyl-1H-...)
Show SMILES Cc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O2S/c1-13-12-17(14-6-4-3-5-7-14)19(18-13)15-8-10-16(11-9-15)22(2,20)21/h3-12H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 1 using monocytes-like cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50110482
PNG
(1-(4-Methanesulfonyl-phenyl)-3-methyl-5-phenyl-1H-...)
Show SMILES Cc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O2S/c1-13-12-17(14-6-4-3-5-7-14)19(18-13)15-8-10-16(11-9-15)22(2,20)21/h3-12H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50110482
PNG
(1-(4-Methanesulfonyl-phenyl)-3-methyl-5-phenyl-1H-...)
Show SMILES Cc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O2S/c1-13-12-17(14-6-4-3-5-7-14)19(18-13)15-8-10-16(11-9-15)22(2,20)21/h3-12H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Laboratoires Innothera

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cells


Bioorg Med Chem Lett 12: 779-82 (2002)


BindingDB Entry DOI: 10.7270/Q20864MC
More data for this
Ligand-Target Pair