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BDBM50266512 1-(4-Methanesulfonyl-phenyl)-5-p-tolyl-1H-[1,2,3]triazole::CHEMBL512917

SMILES: Cc1ccc(cc1)-c1cnnn1-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=ZICPVCHQEIJFKO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50266512   
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


(Homo sapiens (Human))
BDBM50266512
PNG
(1-(4-Methanesulfonyl-phenyl)-5-p-tolyl-1H-[1,2,3]t...)
Show SMILES Cc1ccc(cc1)-c1cnnn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15N3O2S/c1-12-3-5-13(6-4-12)16-11-17-18-19(16)14-7-9-15(10-8-14)22(2,20)21/h3-11H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50266512
PNG
(1-(4-Methanesulfonyl-phenyl)-5-p-tolyl-1H-[1,2,3]t...)
Show SMILES Cc1ccc(cc1)-c1cnnn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15N3O2S/c1-12-3-5-13(6-4-12)16-11-17-18-19(16)14-7-9-15(10-8-14)22(2,20)21/h3-11H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 780n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair