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PubMed code 17339115

Compile data set for download or QSAR
Found 32 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
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50207198
PNG
(1-(1H-imidazol-1-yl)-4-(4-iodophenyl)-2-butanol hy...)
Show SMILES OC(CCc1ccc(I)cc1)Cn1ccnc1 |w:1.0|
Show InChI InChI=1S/C13H15IN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10,13,17H,3,6,9H2
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n/an/a 60n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50207205
PNG
(1-(1H-imidazol-1-yl)-4-(4-iodophenyl)-2-butanone h...)
Show SMILES Ic1ccc(CCC(=O)Cn2ccnc2)cc1
Show InChI InChI=1S/C13H13IN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10H,3,6,9H2
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n/an/a 110n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50207201
PNG
(4-(4-bromophenyl)-1-(1H-imidazol-1-yl)-2-butanol h...)
Show SMILES OC(CCc1ccc(Br)cc1)Cn1ccnc1 |w:1.0|
Show InChI InChI=1S/C13H15BrN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10,13,17H,3,6,9H2
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n/an/a 140n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50183074
PNG
(4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol ...)
Show SMILES OC(CCc1ccc(Cl)cc1)Cn1ccnc1
Show InChI InChI=1S/C13H15ClN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10,13,17H,3,6,9H2
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n/an/a 500n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM84847
PNG
(1-azolyl-4-phenyl-2-butanone, 49a | CHEMBL558183)
Show SMILES C(CC1(Cn2ccnc2)OCCO1)c1ccccc1
Show InChI InChI=1S/C15H18N2O2/c1-2-4-14(5-3-1)6-7-15(18-10-11-19-15)12-17-9-8-16-13-17/h1-5,8-9,13H,6-7,10-12H2
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n/an/a 700n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50207200
PNG
(4-(4-fluorophenyl)-1-(1H-imidazol-1-yl)-2-butanol ...)
Show SMILES OC(CCc1ccc(F)cc1)Cn1ccnc1 |w:1.0|
Show InChI InChI=1S/C13H15FN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10,13,17H,3,6,9H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50207197
PNG
(4-(4-bromophenyl)-1-(1H-imidazol-1-yl)-2-butanone ...)
Show SMILES Brc1ccc(CCC(=O)Cn2ccnc2)cc1
Show InChI InChI=1S/C13H13BrN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10H,3,6,9H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50207205
PNG
(1-(1H-imidazol-1-yl)-4-(4-iodophenyl)-2-butanone h...)
Show SMILES Ic1ccc(CCC(=O)Cn2ccnc2)cc1
Show InChI InChI=1S/C13H13IN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10H,3,6,9H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50207198
PNG
(1-(1H-imidazol-1-yl)-4-(4-iodophenyl)-2-butanol hy...)
Show SMILES OC(CCc1ccc(I)cc1)Cn1ccnc1 |w:1.0|
Show InChI InChI=1S/C13H15IN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10,13,17H,3,6,9H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50207199
PNG
(1-((2-(2-(4-bromophenyl)ethyl)-1,3-dioxolan-2-yl)m...)
Show SMILES Brc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
Show InChI InChI=1S/C15H17BrN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50207206
PNG
(4-(4-fluorophenyl)-1-(1H-imidazol-1-yl)-2-butanone...)
Show SMILES Fc1ccc(CCC(=O)Cn2ccnc2)cc1
Show InChI InChI=1S/C13H13FN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10H,3,6,9H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50207201
PNG
(4-(4-bromophenyl)-1-(1H-imidazol-1-yl)-2-butanol h...)
Show SMILES OC(CCc1ccc(Br)cc1)Cn1ccnc1 |w:1.0|
Show InChI InChI=1S/C13H15BrN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10,13,17H,3,6,9H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50207206
PNG
(4-(4-fluorophenyl)-1-(1H-imidazol-1-yl)-2-butanone...)
Show SMILES Fc1ccc(CCC(=O)Cn2ccnc2)cc1
Show InChI InChI=1S/C13H13FN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10H,3,6,9H2
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n/an/a 2.70E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50207207
PNG
(1-((2-(2-(4-iodophenyl)ethyl)-1,3-dioxolan-2-yl)me...)
Show SMILES Ic1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
Show InChI InChI=1S/C15H17IN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
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n/an/a 3.70E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50207203
PNG
(1-((2-(2-(4-fluorophenyl)ethyl)-1,3-dioxolan-2-yl)...)
Show SMILES Fc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
Show InChI InChI=1S/C15H17FN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
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n/an/a 3.80E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM84804
PNG
(1-azolyl-4-phenyl-2-butanone, 6a | CHEMBL536514)
Show SMILES O=C(CCc1ccccc1)Cn1ccnc1
Show InChI InChI=1S/C13H14N2O/c16-13(10-15-9-8-14-11-15)7-6-12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50183074
PNG
(4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol ...)
Show SMILES OC(CCc1ccc(Cl)cc1)Cn1ccnc1
Show InChI InChI=1S/C13H15ClN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10,13,17H,3,6,9H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50183062
PNG
(1-((2-(2-(4-chlorophenyl)ethyl)-1,3-dioxolan-2-yl)...)
Show SMILES Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
Show InChI InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
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n/an/a 4.30E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50183045
PNG
(4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanone...)
Show SMILES Clc1ccc(CCC(=O)Cn2ccnc2)cc1
Show InChI InChI=1S/C13H13ClN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10H,3,6,9H2
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n/an/a 4.70E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50044424
PNG
(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM84855
PNG
(1-azolyl-4-phenyl-2-butanone, 57a | CHEMBL536516)
Show SMILES OC(CCc1ccccc1)Cn1ccnc1 |w:1.0|
Show InChI InChI=1S/C13H16N2O/c16-13(10-15-9-8-14-11-15)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,13,16H,6-7,10H2
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n/an/a 6.20E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50207197
PNG
(4-(4-bromophenyl)-1-(1H-imidazol-1-yl)-2-butanone ...)
Show SMILES Brc1ccc(CCC(=O)Cn2ccnc2)cc1
Show InChI InChI=1S/C13H13BrN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10H,3,6,9H2
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n/an/a 9.50E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM84804
PNG
(1-azolyl-4-phenyl-2-butanone, 6a | CHEMBL536514)
Show SMILES O=C(CCc1ccccc1)Cn1ccnc1
Show InChI InChI=1S/C13H14N2O/c16-13(10-15-9-8-14-11-15)7-6-12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2
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PubMed
n/an/a 1.13E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM84855
PNG
(1-azolyl-4-phenyl-2-butanone, 57a | CHEMBL536516)
Show SMILES OC(CCc1ccccc1)Cn1ccnc1 |w:1.0|
Show InChI InChI=1S/C13H16N2O/c16-13(10-15-9-8-14-11-15)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,13,16H,6-7,10H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50207200
PNG
(4-(4-fluorophenyl)-1-(1H-imidazol-1-yl)-2-butanol ...)
Show SMILES OC(CCc1ccc(F)cc1)Cn1ccnc1 |w:1.0|
Show InChI InChI=1S/C13H15FN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10,13,17H,3,6,9H2
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n/an/a 1.79E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50044424
PNG
(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
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PubMed
n/an/a 2.45E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50183045
PNG
(4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanone...)
Show SMILES Clc1ccc(CCC(=O)Cn2ccnc2)cc1
Show InChI InChI=1S/C13H13ClN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10H,3,6,9H2
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n/an/a 4.31E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50207199
PNG
(1-((2-(2-(4-bromophenyl)ethyl)-1,3-dioxolan-2-yl)m...)
Show SMILES Brc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
Show InChI InChI=1S/C15H17BrN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM84847
PNG
(1-azolyl-4-phenyl-2-butanone, 49a | CHEMBL558183)
Show SMILES C(CC1(Cn2ccnc2)OCCO1)c1ccccc1
Show InChI InChI=1S/C15H18N2O2/c1-2-4-14(5-3-1)6-7-15(18-10-11-19-15)12-17-9-8-16-13-17/h1-5,8-9,13H,6-7,10-12H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50183062
PNG
(1-((2-(2-(4-chlorophenyl)ethyl)-1,3-dioxolan-2-yl)...)
Show SMILES Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
Show InChI InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50207203
PNG
(1-((2-(2-(4-fluorophenyl)ethyl)-1,3-dioxolan-2-yl)...)
Show SMILES Fc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
Show InChI InChI=1S/C15H17FN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50207207
PNG
(1-((2-(2-(4-iodophenyl)ethyl)-1,3-dioxolan-2-yl)me...)
Show SMILES Ic1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
Show InChI InChI=1S/C15H17IN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%