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SMILES: COc1ccc2cc(ccc2c1)[C@H](C)C(=O)n1c2ccccc2c(=O)c2ccccc12

InChI Key: InChIKey=FLPQQSAIERXZQO-KRWDZBQOSA-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 = 50424101   
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 1


(Ovis aries (Sheep))
BDBM50424101
PNG
(CHEMBL2315019)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)n1c2ccccc2c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C27H21NO3/c1-17(18-11-12-20-16-21(31-2)14-13-19(20)15-18)27(30)28-24-9-5-3-7-22(24)26(29)23-8-4-6-10-25(23)28/h3-17H,1-2H3/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 23: 163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.131
BindingDB Entry DOI: 10.7270/Q26T0NZ5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50424101
PNG
(CHEMBL2315019)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)n1c2ccccc2c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C27H21NO3/c1-17(18-11-12-20-16-21(31-2)14-13-19(20)15-18)27(30)28-24-9-5-3-7-22(24)26(29)23-8-4-6-10-25(23)28/h3-17H,1-2H3/t17-/m0/s1
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 9.80E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2


Bioorg Med Chem Lett 23: 163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.131
BindingDB Entry DOI: 10.7270/Q26T0NZ5
More data for this
Ligand-Target Pair