BindingDB logo
myBDB logout

BDBM50015571 CHEMBL1242364

SMILES: Fc1ccc(cc1)-c1nn(cc1-c1nnc(o1)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=ZQEPLKZXXPIWGS-UHFFFAOYSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50015571   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50015571
PNG
(CHEMBL1242364)
Show SMILES Fc1ccc(cc1)-c1nn(cc1-c1nnc(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H15FN4O/c24-18-13-11-16(12-14-18)21-20(15-28(27-21)19-9-5-2-6-10-19)23-26-25-22(29-23)17-7-3-1-4-8-17/h1-15H
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shoolini University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 2 mins by EIA


Eur J Med Chem 80: 167-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.045
BindingDB Entry DOI: 10.7270/Q2T43VNF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50015571
PNG
(CHEMBL1242364)
Show SMILES Fc1ccc(cc1)-c1nn(cc1-c1nnc(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H15FN4O/c24-18-13-11-16(12-14-18)21-20(15-28(27-21)19-9-5-2-6-10-19)23-26-25-22(29-23)17-7-3-1-4-8-17/h1-15H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Shoolini University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 after 2 mins by EIA


Eur J Med Chem 80: 167-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.045
BindingDB Entry DOI: 10.7270/Q2T43VNF
More data for this
Ligand-Target Pair