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SMILES: CC(C)Cc1ccc(cc1)C(C)C(=O)OCCn1c2ccccc2c(=O)c2ccccc12

InChI Key: InChIKey=WJIXCIQBVXTYFE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50424106   
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))
BDBM50424106
PNG
(CHEMBL2315014)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)OCCn1c2ccccc2c(=O)c2ccccc12
Show InChI InChI=1S/C28H29NO3/c1-19(2)18-21-12-14-22(15-13-21)20(3)28(31)32-17-16-29-25-10-6-4-8-23(25)27(30)24-9-5-7-11-26(24)29/h4-15,19-20H,16-18H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.41E+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))
BDBM50424106
PNG
(CHEMBL2315014)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)OCCn1c2ccccc2c(=O)c2ccccc12
Show InChI InChI=1S/C28H29NO3/c1-19(2)18-21-12-14-22(15-13-21)20(3)28(31)32-17-16-29-25-10-6-4-8-23(25)27(30)24-9-5-7-11-26(24)29/h4-15,19-20H,16-18H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 670n/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