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PubMed code 16190777

Compile data set for download or QSAR
Found 6 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))
BDBM50174673
PNG
(4-[1,2-bis(4-hydroxyphenyl)-1H-imidazol-4-yl]-3-ch...)
Show SMILES Oc1ccc(cc1)-c1nc(cn1-c1ccc(O)cc1)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C21H15ClN2O3/c22-19-11-17(27)9-10-18(19)20-12-24(14-3-7-16(26)8-4-14)21(23-20)13-1-5-15(25)6-2-13/h1-12,25-27H
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Article
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



Free University of Berlin

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cyclooxygenase-1 evaluated by enzyme linked immunosorbent assay


J Med Chem 48: 6516-21 (2005)


Article DOI: 10.1021/jm050190u
BindingDB Entry DOI: 10.7270/Q21N80PG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50174671
PNG
(3-chloro-4-[2-(2-chloro-4-hydroxyphenyl)-1-(4-hydr...)
Show SMILES Oc1ccc(cc1)-n1cc(nc1-c1ccc(O)cc1Cl)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C21H14Cl2N2O3/c22-18-9-14(27)5-7-16(18)20-11-25(12-1-3-13(26)4-2-12)21(24-20)17-8-6-15(28)10-19(17)23/h1-11,26-28H
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PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



Free University of Berlin

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cyclooxygenase-1 evaluated by enzyme linked immunosorbent assay


J Med Chem 48: 6516-21 (2005)


Article DOI: 10.1021/jm050190u
BindingDB Entry DOI: 10.7270/Q21N80PG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50174671
PNG
(3-chloro-4-[2-(2-chloro-4-hydroxyphenyl)-1-(4-hydr...)
Show SMILES Oc1ccc(cc1)-n1cc(nc1-c1ccc(O)cc1Cl)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C21H14Cl2N2O3/c22-18-9-14(27)5-7-16(18)20-11-25(12-1-3-13(26)4-2-12)21(24-20)17-8-6-15(28)10-19(17)23/h1-11,26-28H
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PubMed
n/an/a 9.40E+3n/an/an/an/an/an/a



Free University of Berlin

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cyclooxygenase-2 evaluated by enzyme linked immunosorbent assay


J Med Chem 48: 6516-21 (2005)


Article DOI: 10.1021/jm050190u
BindingDB Entry DOI: 10.7270/Q21N80PG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50174673
PNG
(4-[1,2-bis(4-hydroxyphenyl)-1H-imidazol-4-yl]-3-ch...)
Show SMILES Oc1ccc(cc1)-c1nc(cn1-c1ccc(O)cc1)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C21H15ClN2O3/c22-19-11-17(27)9-10-18(19)20-12-24(14-3-7-16(26)8-4-14)21(23-20)13-1-5-15(25)6-2-13/h1-12,25-27H
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PubMed
n/an/a 1.15E+4n/an/an/an/an/an/a



Free University of Berlin

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cyclooxygenase-2 evaluated by enzyme linked immunosorbent assay


J Med Chem 48: 6516-21 (2005)


Article DOI: 10.1021/jm050190u
BindingDB Entry DOI: 10.7270/Q21N80PG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50174674
PNG
(4-[1,2-bis(4-hydroxyphenyl)-1H-imidazol-4-yl]pheno...)
Show SMILES Oc1ccc(cc1)-c1cn(c(n1)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H16N2O3/c24-17-7-1-14(2-8-17)20-13-23(16-5-11-19(26)12-6-16)21(22-20)15-3-9-18(25)10-4-15/h1-13,24-26H
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PubMed
n/an/a 1.22E+4n/an/an/an/an/an/a



Free University of Berlin

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cyclooxygenase-1 evaluated by enzyme linked immunosorbent assay


J Med Chem 48: 6516-21 (2005)


Article DOI: 10.1021/jm050190u
BindingDB Entry DOI: 10.7270/Q21N80PG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50174672
PNG
(4-[5-ethyl-1,2-bis(4-hydroxyphenyl)-1H-imidazol-4-...)
Show SMILES CCc1c(nc(-c2ccc(O)cc2)n1-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H20N2O3/c1-2-21-22(15-3-9-18(26)10-4-15)24-23(16-5-11-19(27)12-6-16)25(21)17-7-13-20(28)14-8-17/h3-14,26-28H,2H2,1H3
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Free University of Berlin

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cyclooxygenase-1 evaluated by enzyme linked immunosorbent assay


J Med Chem 48: 6516-21 (2005)


Article DOI: 10.1021/jm050190u
BindingDB Entry DOI: 10.7270/Q21N80PG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%