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PubMed code 19540763

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated PGH2 production by enzyme immunoassay


Bioorg Med Chem 17: 5044-53 (2009)


Article DOI: 10.1016/j.bmc.2009.05.065
BindingDB Entry DOI: 10.7270/Q2X92BCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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Article
PubMed
n/an/a 600n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGH2 production by enzyme immunoassay


Bioorg Med Chem 17: 5044-53 (2009)


Article DOI: 10.1016/j.bmc.2009.05.065
BindingDB Entry DOI: 10.7270/Q2X92BCX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor


(MOUSE)
BDBM50300853
PNG
(CHEMBL568473 | [2-Methyl-1-(1-benzyl-piperidin-4-y...)
Show SMILES Cc1c(CC(O)=O)c2ccccc2n1C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26N2O2/c1-17-21(15-23(26)27)20-9-5-6-10-22(20)25(17)19-11-13-24(14-12-19)16-18-7-3-2-4-8-18/h2-10,19H,11-16H2,1H3,(H,26,27)
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Article
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n/an/a 1.27E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction at 1 uM


Bioorg Med Chem 17: 5044-53 (2009)


Article DOI: 10.1016/j.bmc.2009.05.065
BindingDB Entry DOI: 10.7270/Q2X92BCX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50300853
PNG
(CHEMBL568473 | [2-Methyl-1-(1-benzyl-piperidin-4-y...)
Show SMILES Cc1c(CC(O)=O)c2ccccc2n1C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26N2O2/c1-17-21(15-23(26)27)20-9-5-6-10-22(20)25(17)19-11-13-24(14-12-19)16-18-7-3-2-4-8-18/h2-10,19H,11-16H2,1H3,(H,26,27)
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n/an/a 5.16E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum/longitudinal muscle with myenteric plexus assessed as inhibition of electrically-s...


Bioorg Med Chem 17: 5044-53 (2009)


Article DOI: 10.1016/j.bmc.2009.05.065
BindingDB Entry DOI: 10.7270/Q2X92BCX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%