BindingDB logo
myBDB logout

null

SMILES: CC(C)(C)OC1Oc2ccccc2-c2nc(NN)ncc12

InChI Key: InChIKey=WJVDIWQRDUFPKF-UHFFFAOYSA-N

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 2 hits for monomerid = 50362199   
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 2


(Homo sapiens (Human))
BDBM50362199
PNG
(CHEMBL1938840)
Show SMILES CC(C)(C)OC1Oc2ccccc2-c2nc(NN)ncc12
Show InChI InChI=1S/C15H18N4O2/c1-15(2,3)21-13-10-8-17-14(19-16)18-12(10)9-6-4-5-7-11(9)20-13/h4-8,13H,16H2,1-3H3,(H,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of COX-2


Bioorg Med Chem Lett 22: 1125-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.103
BindingDB Entry DOI: 10.7270/Q2V12584
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50362199
PNG
(CHEMBL1938840)
Show SMILES CC(C)(C)OC1Oc2ccccc2-c2nc(NN)ncc12
Show InChI InChI=1S/C15H18N4O2/c1-15(2,3)21-13-10-8-17-14(19-16)18-12(10)9-6-4-5-7-11(9)20-13/h4-8,13H,16H2,1-3H3,(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of COX-1


Bioorg Med Chem Lett 22: 1125-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.103
BindingDB Entry DOI: 10.7270/Q2V12584
More data for this
Ligand-Target Pair