BindingDB logo
myBDB logout

null

SMILES: Brc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1

InChI Key: InChIKey=QYEFQRPRWKTQGT-VMPITWQZSA-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 = 50038399   
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


(Ovis aries (Sheep))
BDBM50038399
PNG
(CHEMBL3361124)
Show SMILES Brc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C18H11BrN2O/c19-15-6-7-17-16(9-15)14(11-21-17)5-8-18(22)13-3-1-12(10-20)2-4-13/h1-9,11,21H/b8-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.5n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50038399
PNG
(CHEMBL3361124)
Show SMILES Brc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C18H11BrN2O/c19-15-6-7-17-16(9-15)14(11-21-17)5-8-18(22)13-3-1-12(10-20)2-4-13/h1-9,11,21H/b8-5+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair