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Compile Data Set for Download or QSAR

Found 212 hits Enz. Inhib. hit(s) with Target = 'Heme Oxygenase 1 (HO-1)'   
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 (HO-1)


(Rattus norvegicus (rat))
BDBM84828
PNG
(1-azolyl-4-phenyl-2-butanone, 30)
Show SMILES COOCc1ncn(CC(=O)CCc2ccccc2)n1
Show InChI InChI=1S/C14H17N3O3/c1-19-20-10-14-15-11-17(16-14)9-13(18)8-7-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84829
PNG
(1-azolyl-4-phenyl-2-butanone, 31)
Show SMILES CSc1ncn(CC(=O)CCc2ccccc2)n1
Show InChI InChI=1S/C13H15N3OS/c1-18-13-14-10-16(15-13)9-12(17)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84830
PNG
(1-azolyl-4-phenyl-2-butanone, 32)
Show SMILES ON(O)c1ncn(CC(=O)CCc2ccccc2)n1
Show InChI InChI=1S/C12H14N4O3/c17-11(7-6-10-4-2-1-3-5-10)8-15-9-13-12(14-15)16(18)19/h1-5,9,18-19H,6-8H2
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84831
PNG
(1-azolyl-4-phenyl-2-butanone, 33)
Show SMILES O=C(CCc1ccccc1)Cn1cnc(n1)-c1ccccc1
Show InChI InChI=1S/C18H17N3O/c22-17(12-11-15-7-3-1-4-8-15)13-21-14-19-18(20-21)16-9-5-2-6-10-16/h1-10,14H,11-13H2
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n/an/a 9.00E+3n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84832
PNG
(1-azolyl-4-phenyl-2-butanone, 34)
Show SMILES COOCc1ncnn1CC(=O)CCc1ccccc1
Show InChI InChI=1S/C14H17N3O3/c1-19-20-10-14-15-11-16-17(14)9-13(18)8-7-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84833
PNG
(1-azolyl-4-phenyl-2-butanone, 35)
Show SMILES CSc1ncnn1CC(=O)CCc1ccccc1
Show InChI InChI=1S/C13H15N3OS/c1-18-13-14-10-15-16(13)9-12(17)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84834
PNG
(1-azolyl-4-phenyl-2-butanone, 36)
Show SMILES Brc1nc(Br)n(CC(=O)CCc2ccccc2)n1
Show InChI InChI=1S/C12H11Br2N3O/c13-11-15-12(14)17(16-11)8-10(18)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84835
PNG
(1-azolyl-4-phenyl-2-butanone, 37)
Show SMILES O=C(CCc1ccccc1)Cn1nc(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H21N3O/c28-22(17-16-19-10-4-1-5-11-19)18-27-24(21-14-8-3-9-15-21)25-23(26-27)20-12-6-2-7-13-20/h1-15H,16-18H2
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84836
PNG
(1-azolyl-4-phenyl-2-butanone, 38)
Show SMILES CSc1nnnn1CC(=O)CCc1ccccc1
Show InChI InChI=1S/C12H14N4OS/c1-18-12-13-14-15-16(12)9-11(17)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84837
PNG
(1-azolyl-4-phenyl-2-butanone, 39)
Show SMILES CC(C)OCCc1nnnn1CC(=O)CCc1ccccc1
Show InChI InChI=1S/C15H21N4O3/c1-22(2)21-11-10-15-16-17-18-19(15)12-14(20)9-8-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84838
PNG
(1-azolyl-4-phenyl-2-butanone, 40)
Show SMILES O=C(CCc1ccccc1)Cn1nnnc1-c1ccccc1
Show InChI InChI=1S/C17H16N4O/c22-16(12-11-14-7-3-1-4-8-14)13-21-17(18-19-20-21)15-9-5-2-6-10-15/h1-10H,11-13H2
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84839
PNG
(1-azolyl-4-phenyl-2-butanone, 41)
Show SMILES CSc1nnn(CC(=O)CCc2ccccc2)n1
Show InChI InChI=1S/C12H14N4OS/c1-18-12-13-15-16(14-12)9-11(17)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84840
PNG
(1-azolyl-4-phenyl-2-butanone, 42)
Show SMILES COOCCc1nnn(CC(=O)CCc2ccccc2)n1
Show InChI InChI=1S/C14H18N4O3/c1-20-21-10-9-14-15-17-18(16-14)11-13(19)8-7-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84841
PNG
(1-azolyl-4-phenyl-2-butanone, 43)
Show SMILES O=C(CCc1ccccc1)Cn1nnc(n1)-c1ccccc1
Show InChI InChI=1S/C17H16N4O/c22-16(12-11-14-7-3-1-4-8-14)13-21-19-17(18-20-21)15-9-5-2-6-10-15/h1-10H,11-13H2
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84842
PNG
(1-azolyl-4-phenyl-2-butanone, 44)
Show SMILES COOSc1nccn1CC(=O)CCc1ccccc1
Show InChI InChI=1S/C14H16N2O3S/c1-18-19-20-14-15-9-10-16(14)11-13(17)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84843
PNG
(1-azolyl-4-phenyl-2-butanone, 45)
Show SMILES COOSc1ncn(CC(=O)CCc2ccccc2)n1
Show InChI InChI=1S/C13H15N3O3S/c1-18-19-20-13-14-10-16(15-13)9-12(17)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84844
PNG
(1-azolyl-4-phenyl-2-butanone, 46)
Show SMILES COOSc1ncnn1CC(=O)CCc1ccccc1
Show InChI InChI=1S/C13H15N3O3S/c1-18-19-20-13-14-10-15-16(13)9-12(17)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84845
PNG
(1-azolyl-4-phenyl-2-butanone, 47)
Show SMILES COOSc1nnnn1CC(=O)CCc1ccccc1
Show InChI InChI=1S/C12H14N4O3S/c1-18-19-20-12-13-14-15-16(12)9-11(17)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84846
PNG
(1-azolyl-4-phenyl-2-butanone, 48)
Show SMILES COOSc1nnn(CC(=O)CCc2ccccc2)n1
Show InChI InChI=1S/C12H14N4O3S/c1-18-19-20-12-13-15-16(14-12)9-11(17)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-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/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84848
PNG
(1-azolyl-4-phenyl-2-butanone, 50)
Show SMILES C(CC1(Cn2cncn2)OCCO1)c1ccccc1
Show InChI InChI=1S/C14H17N3O2/c1-2-4-13(5-3-1)6-7-14(18-8-9-19-14)10-17-12-15-11-16-17/h1-5,11-12H,6-10H2
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n/an/a 1.30E+4n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84849
PNG
(1-azolyl-4-phenyl-2-butanone, 51)
Show SMILES C(CC1(Cn2ccnn2)OCCO1)c1ccccc1
Show InChI InChI=1S/C14H17N3O2/c1-2-4-13(5-3-1)6-7-14(18-10-11-19-14)12-17-9-8-15-16-17/h1-5,8-9H,6-7,10-12H2
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84850
PNG
(1-azolyl-4-phenyl-2-butanone, 52)
Show SMILES C(CC1(Cn2nccn2)OCCO1)c1ccccc1
Show InChI InChI=1S/C14H17N3O2/c1-2-4-13(5-3-1)6-7-14(18-10-11-19-14)12-17-15-8-9-16-17/h1-5,8-9H,6-7,10-12H2
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84851
PNG
(1-azolyl-4-phenyl-2-butanone, 53)
Show SMILES C(CC1(Cn2cnnn2)OCCO1)c1ccccc1
Show InChI InChI=1S/C13H16N4O2/c1-2-4-12(5-3-1)6-7-13(18-8-9-19-13)10-17-11-14-15-16-17/h1-5,11H,6-10H2
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n/an/a 3.90E+4n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84852
PNG
(1-azolyl-4-phenyl-2-butanone, 54)
Show SMILES C(CC1(Cn2ncnn2)OCCO1)c1ccccc1
Show InChI InChI=1S/C13H16N4O2/c1-2-4-12(5-3-1)6-7-13(18-8-9-19-13)10-17-15-11-14-16-17/h1-5,11H,6-10H2
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n/an/a 7.20E+4n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84854
PNG
(1-azolyl-4-phenyl-2-butanone, 56)
Show SMILES C(CC1(Cn2cnc(c2-c2ccccc2)-c2ccccc2)OCCO1)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-4-10-22(11-5-1)16-17-27(30-18-19-31-27)20-29-21-28-25(23-12-6-2-7-13-23)26(29)24-14-8-3-9-15-24/h1-15,21H,16-20H2
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n/an/a>1.00E+5n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84855
PNG
(1-azolyl-4-phenyl-2-butanone, 57a | CHEMBL536516)
Show SMILES OC(CCc1ccccc1)Cn1ccnc1
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 6.00E+3n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM84856
PNG
(1-azolyl-4-phenyl-2-butanone, 58)
Show SMILES OC(CCc1ccccc1)Cn1cncn1
Show InChI InChI=1S/C12H15N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10,12,16H,6-8H2
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n/an/a 1.02E+4n/an/an/an/a7.425



Queen's University



Assay Description
Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...


Chem Biol Drug Des 75: 68-90 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31652
PNG
(imidazole-dioxolane, 3)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccccc3)O2)cc1
Show InChI InChI=1S/C22H23ClN2O2S/c23-19-8-6-18(7-9-19)10-11-22(16-25-13-12-24-17-25)26-14-20(27-22)15-28-21-4-2-1-3-5-21/h1-9,12-13,17,20H,10-11,14-16H2/t20-,22+/m0/s1
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n/an/a 1.03E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31653
PNG
(CHEMBL421109 | imidazole-dioxolane, 5)
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 330n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31654
PNG
(CHEMBL368045 | imidazole-dioxolane, 6)
Show SMILES Nc1ccccc1SC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-7-5-17(6-8-18)9-10-22(15-26-12-11-25-16-26)27-13-19(28-22)14-29-21-4-2-1-3-20(21)24/h1-8,11-12,16,19H,9-10,13-15,24H2/t19-,22+/m0/s1
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n/an/a 4.00E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31655
PNG
(CHEMBL179494 | imidazole-dioxolane, 7)
Show SMILES Nc1cccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/t20-,22+/m0/s1
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n/an/a 4.00E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31656
PNG
(imidazole-dioxolane, 8)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccncc3)O2)cc1
Show InChI InChI=1S/C21H22ClN3O2S/c22-18-3-1-17(2-4-18)5-8-21(15-25-12-11-24-16-25)26-13-19(27-21)14-28-20-6-9-23-10-7-20/h1-4,6-7,9-12,16,19H,5,8,13-15H2/t19-,21+/m0/s1
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n/an/a 2.50E+4n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31657
PNG
(imidazole-dioxolane, 9)
Show SMILES Oc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H23ClN2O3S/c23-18-3-1-17(2-4-18)9-10-22(15-25-12-11-24-16-25)27-13-20(28-22)14-29-21-7-5-19(26)6-8-21/h1-8,11-12,16,20,26H,9-10,13-15H2/t20-,22+/m0/s1
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n/an/a 1.59E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31658
PNG
(imidazole-dioxolane, 10)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc(Br)cc3)O2)cc1
Show InChI InChI=1S/C22H22BrClN2O2S/c23-18-3-7-21(8-4-18)29-14-20-13-27-22(28-20,15-26-12-11-25-16-26)10-9-17-1-5-19(24)6-2-17/h1-8,11-12,16,20H,9-10,13-15H2/t20-,22+/m0/s1
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n/an/a 2.10E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31659
PNG
(imidazole-dioxolane, 11)
Show SMILES COc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C23H25ClN2O3S/c1-27-20-6-8-22(9-7-20)30-15-21-14-28-23(29-21,16-26-13-12-25-17-26)11-10-18-2-4-19(24)5-3-18/h2-9,12-13,17,21H,10-11,14-16H2,1H3/t21-,23+/m0/s1
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n/an/a 700n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31660
PNG
(imidazole-dioxolane, 12)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc(Cl)cc3)O2)cc1
Show InChI InChI=1S/C22H22Cl2N2O2S/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,9-10,13-15H2/t20-,22+/m0/s1
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n/an/a 2.80E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31661
PNG
(imidazole-dioxolane, 13)
Show SMILES Fc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H22ClFN2O2S/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,9-10,13-15H2/t20-,22+/m0/s1
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n/an/a 2.20E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31662
PNG
(imidazole-dioxolane, 14)
Show SMILES [O-][N+](=O)c1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H22ClN3O4S/c23-18-3-1-17(2-4-18)9-10-22(15-25-12-11-24-16-25)29-13-20(30-22)14-31-21-7-5-19(6-8-21)26(27)28/h1-8,11-12,16,20H,9-10,13-15H2/t20-,22+/m0/s1
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n/an/a 6.00E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31663
PNG
(imidazole-dioxolane, 15)
Show SMILES FC(F)(F)c1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)nc1
Show InChI InChI=1S/C22H21ClF3N3O2S/c23-18-4-1-16(2-5-18)7-8-21(14-29-10-9-27-15-29)30-12-19(31-21)13-32-20-6-3-17(11-28-20)22(24,25)26/h1-6,9-11,15,19H,7-8,12-14H2/t19-,21+/m0/s1
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n/an/a 2.10E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31664
PNG
(imidazole-dioxolane, 16)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSC3CCCCC3)O2)cc1
Show InChI InChI=1S/C22H29ClN2O2S/c23-19-8-6-18(7-9-19)10-11-22(16-25-13-12-24-17-25)26-14-20(27-22)15-28-21-4-2-1-3-5-21/h6-9,12-13,17,20-21H,1-5,10-11,14-16H2/t20-,22+/m0/s1
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n/an/a 940n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31665
PNG
(imidazole-dioxolane, 17)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc4ccccc4c3)O2)cc1
Show InChI InChI=1S/C26H25ClN2O2S/c27-23-8-5-20(6-9-23)11-12-26(18-29-14-13-28-19-29)30-16-24(31-26)17-32-25-10-7-21-3-1-2-4-22(21)15-25/h1-10,13-15,19,24H,11-12,16-18H2/t24-,26+/m0/s1
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n/an/a 900n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31666
PNG
(imidazole-dioxolane, 18)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3cccc(Br)c3)O2)cc1
Show InChI InChI=1S/C22H22BrClN2O2S/c23-18-2-1-3-21(12-18)29-14-20-13-27-22(28-20,15-26-11-10-25-16-26)9-8-17-4-6-19(24)7-5-17/h1-7,10-12,16,20H,8-9,13-15H2/t20-,22+/m0/s1
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n/an/a 5.00E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31667
PNG
(imidazole-dioxolane, 19)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccccc3Br)O2)cc1
Show InChI InChI=1S/C22H22BrClN2O2S/c23-20-3-1-2-4-21(20)29-14-19-13-27-22(28-19,15-26-12-11-25-16-26)10-9-17-5-7-18(24)8-6-17/h1-8,11-12,16,19H,9-10,13-15H2/t19-,22+/m0/s1
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n/an/a 6.00E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31668
PNG
(imidazole-dioxolane, 20)
Show SMILES Nc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O3/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)28-14-21(29-22)13-27-20-7-5-19(24)6-8-20/h1-8,11-12,16,21H,9-10,13-15,24H2/t21-,22-/m1/s1
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n/an/a 1.40E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31669
PNG
(imidazole-dioxolane, 21)
Show SMILES Oc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H23ClN2O4/c23-18-3-1-17(2-4-18)9-10-22(15-25-12-11-24-16-25)28-14-21(29-22)13-27-20-7-5-19(26)6-8-20/h1-8,11-12,16,21,26H,9-10,13-15H2/t21-,22-/m1/s1
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n/an/a 1.80E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31670
PNG
(imidazole-dioxolane, 22)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(cc3)C34CC5CC(CC(C5)C3)C4)O2)cc1
Show InChI InChI=1S/C32H37ClN2O3/c33-28-5-1-23(2-6-28)9-10-32(21-35-12-11-34-22-35)37-20-30(38-32)19-36-29-7-3-27(4-8-29)31-16-24-13-25(17-31)15-26(14-24)18-31/h1-8,11-12,22,24-26,30H,9-10,13-21H2/t24?,25?,26?,30-,31?,32-/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31671
PNG
(imidazole-dioxolane, 23)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccccc3)O2)cc1
Show InChI InChI=1S/C22H23ClN2O3/c23-19-8-6-18(7-9-19)10-11-22(16-25-13-12-24-17-25)27-15-21(28-22)14-26-20-4-2-1-3-5-20/h1-9,12-13,17,21H,10-11,14-16H2/t21-,22-/m1/s1
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n/an/a 590n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31672
PNG
(imidazole-dioxolane, 24)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(Br)cc3)O2)cc1
Show InChI InChI=1S/C22H22BrClN2O3/c23-18-3-7-20(8-4-18)27-13-21-14-28-22(29-21,15-26-12-11-25-16-26)10-9-17-1-5-19(24)6-2-17/h1-8,11-12,16,21H,9-10,13-15H2/t21-,22-/m1/s1
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n/an/a 3.50E+3n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31673
PNG
(imidazole-dioxolane, 25)
Show SMILES Fc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H22ClFN2O3/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)28-14-21(29-22)13-27-20-7-5-19(24)6-8-20/h1-8,11-12,16,21H,9-10,13-15H2/t21-,22-/m1/s1
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n/an/a 280n/an/an/an/a7.437



Queen's University



Assay Description
HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
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