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BDBM50001292 CHEMBL3237068

SMILES: COc1ccc(cc1)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=DIQVFRKDSSVLSW-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50001292   
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))
BDBM50001292
PNG
(CHEMBL3237068)
Show SMILES COc1ccc(cc1)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClN4O5/c1-32-19-11-9-18(10-12-19)30-24(15-13-20(33-2)22(35-4)21(14-15)34-3)28-23(29-30)25(31)27-17-7-5-16(26)6-8-17/h5-14H,1-4H3,(H,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Minia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 assessed as prostaglandin F2alpha level


Eur J Med Chem 77: 155-65 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.001
BindingDB Entry DOI: 10.7270/Q2M32X8R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50001292
PNG
(CHEMBL3237068)
Show SMILES COc1ccc(cc1)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClN4O5/c1-32-19-11-9-18(10-12-19)30-24(15-13-20(33-2)22(35-4)21(14-15)34-3)28-23(29-30)25(31)27-17-7-5-16(26)6-8-17/h5-14H,1-4H3,(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Minia University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as prostaglandin F2alpha level


Eur J Med Chem 77: 155-65 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.001
BindingDB Entry DOI: 10.7270/Q2M32X8R
More data for this
Ligand-Target Pair