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Compile Data Set for Download or QSAR

Found 339 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


(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))		BDBM50315700
PNG
(CHEMBL4161975)
Show SMILES OC(Cn1ccnc1)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H15BrN2O/c18-16-7-5-14(6-8-16)13-1-3-15(4-2-13)17(21)11-20-10-9-19-12-20/h1-10,12,17,21H,11H2
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n/an/a 60n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins...

Eur J Med Chem 148: 54-62 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.007
BindingDB Entry DOI: 10.7270/Q28P633V
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50438658
PNG
(CHEMBL1188560)
Show SMILES OC(CCc1ccc(I)cc1)Cn1ccnc1
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



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsomal HO-1 assessed as bilirubin formation after 60 mins by spectrophotometric analysis

Bioorg Med Chem 21: 5145-53 (2013)


Article DOI: 10.1016/j.bmc.2013.06.040
BindingDB Entry DOI: 10.7270/Q2FF3TSH
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))		BDBM50526839
PNG
(CHEMBL4586392)
Show SMILES O[C@H](Cn1ccnc1)c1ccc(CCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C19H20N2O/c22-19(14-21-13-12-20-15-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-13,15,19,22H,6-7,14H2/t19-/m1/s1
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n/an/a 225n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chr...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111703
BindingDB Entry DOI: 10.7270/Q2WD441F
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50526821
PNG
(CHEMBL4583097)
Show SMILES O=C(Cn1cncn1)c1ccc2CCCCc2c1
Show InChI InChI=1S/C14H15N3O/c18-14(8-17-10-15-9-16-17)13-6-5-11-3-1-2-4-12(11)7-13/h5-7,9-10H,1-4,8H2
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n/an/a 240n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chr...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111703
BindingDB Entry DOI: 10.7270/Q2WD441F
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50526835
PNG
(CHEMBL4520773)
Show SMILES C(CCn1ccnc1)Cc1ccccc1
Show InChI InChI=1S/C13H16N2/c1-2-6-13(7-3-1)8-4-5-10-15-11-9-14-12-15/h1-3,6-7,9,11-12H,4-5,8,10H2
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n/an/a 250n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chr...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111703
BindingDB Entry DOI: 10.7270/Q2WD441F
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50183064
PNG
((2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)
Show SMILES C[C@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1
Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins...

Eur J Med Chem 148: 54-62 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.007
BindingDB Entry DOI: 10.7270/Q28P633V
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50315702
PNG
(CHEMBL4166126)
Show SMILES O=C(CC(c1ccccc1)c1ccccc1)Cn1ccnc1
Show InChI InChI=1S/C19H18N2O/c22-18(14-21-12-11-20-15-21)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2
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n/an/a 270n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO-1 assessed as bilirubin formation incubated for 60 mins by double-beam spectrophotometry

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00633
BindingDB Entry DOI: 10.7270/Q23F4TJN
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50315702
PNG
(CHEMBL4166126)
Show SMILES O=C(CC(c1ccccc1)c1ccccc1)Cn1ccnc1
Show InChI InChI=1S/C19H18N2O/c22-18(14-21-12-11-20-15-21)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2
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n/an/a 270n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in rat spleen microsomes incubated for 15 mins

Eur J Med Chem 167: 439-453 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.027
BindingDB Entry DOI: 10.7270/Q2P55S0Z
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50315702
PNG
(CHEMBL4166126)
Show SMILES O=C(CC(c1ccccc1)c1ccccc1)Cn1ccnc1
Show InChI InChI=1S/C19H18N2O/c22-18(14-21-12-11-20-15-21)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2
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n/an/a 270n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins...

Eur J Med Chem 148: 54-62 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.007
BindingDB Entry DOI: 10.7270/Q28P633V
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM31673
PNG
(imidazole-dioxolane, 25)
Show SMILES Fc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
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
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chromatography

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111703
BindingDB Entry DOI: 10.7270/Q2WD441F
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 300n/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...

J Pharmacol Exp Ther 319: 277-84 (2006)


Article DOI: 10.1124/jpet.106.102699
BindingDB Entry DOI: 10.7270/Q2HH6HD9
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM31653
PNG
(CHEMBL421109 | imidazole-dioxolane, 5)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
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


(Rattus norvegicus (rat))		BDBM31653
PNG
(CHEMBL421109 | imidazole-dioxolane, 5)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
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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University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chr...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111703
BindingDB Entry DOI: 10.7270/Q2WD441F
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50252802
PNG
(4-(4-Bromophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-buta...)
Show SMILES Brc1ccc(CCC(=O)Cn2cncn2)cc1
Show InChI InChI=1S/C12H12BrN3O/c13-11-4-1-10(2-5-11)3-6-12(17)7-16-9-14-8-15-16/h1-2,4-5,8-9H,3,6-7H2
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n/an/a 390n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of HO1 in rat spleen microsomal fraction assessed as carbon monoxide production

J Med Chem 51: 5943-52 (2008)


Article DOI: 10.1021/jm800505m
BindingDB Entry DOI: 10.7270/Q2RX9BWZ
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50526824
PNG
(CHEMBL4436773)
Show SMILES Brc1ccc(CC(=O)Cn2ccnn2)cc1
Show InChI InChI=1S/C11H10BrN3O/c12-10-3-1-9(2-4-10)7-11(16)8-15-6-5-13-14-15/h1-6H,7-8H2
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n/an/a 390n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chr...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111703
BindingDB Entry DOI: 10.7270/Q2WD441F
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50526840
PNG
(CHEMBL4514212)
Show SMILES C(CCn1ccnc1)Cc1ccc(CCCCn2ccnc2)cc1
Show InChI InChI=1S/C20H26N4/c1(3-13-23-15-11-21-17-23)5-19-7-9-20(10-8-19)6-2-4-14-24-16-12-22-18-24/h7-12,15-18H,1-6,13-14H2
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University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chr...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111703
BindingDB Entry DOI: 10.7270/Q2WD441F
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50315703
PNG
(CHEMBL4177406)
Show SMILES OC(Cn1ccnc1)c1cccc(Br)c1
Show InChI InChI=1S/C11H11BrN2O/c12-10-3-1-2-9(6-10)11(15)7-14-5-4-13-8-14/h1-6,8,11,15H,7H2
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n/an/a 400n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins...

Eur J Med Chem 148: 54-62 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.007
BindingDB Entry DOI: 10.7270/Q28P633V
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM31769
PNG
(Terconazole | cid_5404)
Show SMILES CC(C)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m1/s1
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n/an/a 410n/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...

J Pharmacol Exp Ther 319: 277-84 (2006)


Article DOI: 10.1124/jpet.106.102699
BindingDB Entry DOI: 10.7270/Q2HH6HD9
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50375318
PNG
(Fungistat | Gyno-Terazol | Panlomyc | R-42470 | TE...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chromatography

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111703
BindingDB Entry DOI: 10.7270/Q2WD441F
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))		BDBM50315696
PNG
(CHEMBL4177101)
Show SMILES Clc1ccc(CCCCn2ccnc2)cc1
Show InChI InChI=1S/C13H15ClN2/c14-13-6-4-12(5-7-13)3-1-2-9-16-10-8-15-11-16/h4-8,10-11H,1-3,9H2
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n/an/a 500n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins...

Eur J Med Chem 148: 54-62 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.007
BindingDB Entry DOI: 10.7270/Q28P633V
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50315706
PNG
(CHEMBL4161217)
Show SMILES OC(Cn1ccnc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H18N2O2/c21-18(12-20-11-10-19-14-20)16-6-8-17(9-7-16)22-13-15-4-2-1-3-5-15/h1-11,14,18,21H,12-13H2
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n/an/a 500n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins...

Eur J Med Chem 148: 54-62 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.007
BindingDB Entry DOI: 10.7270/Q28P633V
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM31653
PNG
(CHEMBL421109 | imidazole-dioxolane, 5)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
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 520n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 1 from rat spleen

Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM31671
PNG
(imidazole-dioxolane, 23)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccccc3)O2)cc1 |r|
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


(Rattus norvegicus (rat))		BDBM31677
PNG
(imidazole-dioxolane, 29)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(cc3)C#N)O2)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3/c24-20-5-1-18(2-6-20)9-10-23(16-27-12-11-26-17-27)29-15-22(30-23)14-28-21-7-3-19(13-25)4-8-21/h1-8,11-12,17,22H,9-10,14-16H2/t22-,23-/m1/s1
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n/an/a 670n/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


(Rattus norvegicus (rat))		BDBM31659
PNG
(imidazole-dioxolane, 11)
Show SMILES COc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
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


(Rattus norvegicus (rat))		BDBM50526838
PNG
(CHEMBL4469952)
Show SMILES COc1ccc(CC(O)CCn2ccnc2)cc1
Show InChI InChI=1S/C14H18N2O2/c1-18-14-4-2-12(3-5-14)10-13(17)6-8-16-9-7-15-11-16/h2-5,7,9,11,13,17H,6,8,10H2,1H3
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n/an/a 700n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chr...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111703
BindingDB Entry DOI: 10.7270/Q2WD441F
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



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins...

Eur J Med Chem 148: 54-62 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.007
BindingDB Entry DOI: 10.7270/Q28P633V
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/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


(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))		BDBM50526831
PNG
(CHEMBL3410629)
Show SMILES O=C(Cn1cncn1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O/c20-16(10-19-12-17-11-18-19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,11-12H,10H2
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n/an/a 740n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chr...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111703
BindingDB Entry DOI: 10.7270/Q2WD441F
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50183063
PNG
((2R,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)
Show SMILES C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1
Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen HO1

J Med Chem 49: 4437-41 (2006)


Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM31679
PNG
(imidazole-dioxolane, 2)
Show SMILES C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m1/s1
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n/an/a 800n/an/an/an/a7.4n/a



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		3D
3D Structure (docked)
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50526841
PNG
(CHEMBL4552523)
Show SMILES Fc1ccc(CO[C@@H](CCc2ccc(Cl)cc2)Cn2ccnc2)cc1 |r|
Show InChI InChI=1S/C20H20ClFN2O/c21-18-6-1-16(2-7-18)5-10-20(13-24-12-11-23-15-24)25-14-17-3-8-19(22)9-4-17/h1-4,6-9,11-12,15,20H,5,10,13-14H2/t20-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chr...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111703
BindingDB Entry DOI: 10.7270/Q2WD441F
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50587165
PNG
(CHEMBL5081981)
Show SMILES CN(C(c1ccccc1)c1ccccc1)C(=O)Cn1ccnc1
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n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO-1 assessed as bilirubin formation incubated for 60 mins by double-beam spectrophotometry

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00633
BindingDB Entry DOI: 10.7270/Q23F4TJN
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM31665
PNG
(imidazole-dioxolane, 17)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc4ccccc4c3)O2)cc1 |r|
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


(Rattus norvegicus (rat))		BDBM50315695
PNG
(CHEMBL1192872)
Show SMILES OC(Cn1ccnc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H16N2O2/c20-17(12-19-11-10-18-13-19)14-6-8-16(9-7-14)21-15-4-2-1-3-5-15/h1-11,13,17,20H,12H2
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n/an/a 900n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins...

Eur J Med Chem 148: 54-62 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.007
BindingDB Entry DOI: 10.7270/Q28P633V
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50315705
PNG
(CHEMBL1195244)
Show SMILES OC(Cn1ccnc1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C17H16N2O/c20-17(12-19-10-9-18-13-19)16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-11,13,17,20H,12H2
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n/an/a 900n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins...

Eur J Med Chem 148: 54-62 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.007
BindingDB Entry DOI: 10.7270/Q28P633V
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50079977
PNG
(CHEMBL3415248)
Show SMILES C(CSc1nc2ccccc2s1)Cn1ccnc1
Show InChI InChI=1S/C13H13N3S2/c1-2-5-12-11(4-1)15-13(18-12)17-9-3-7-16-8-6-14-10-16/h1-2,4-6,8,10H,3,7,9H2
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n/an/a 900n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO1 in Sprague-Dawley rat spleen microsomal fraction assessed as reduction in bilirubin formation incubated for 60 mins by double beam ...

Eur J Med Chem 96: 162-72 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.003
BindingDB Entry DOI: 10.7270/Q2KH0Q16
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50587166
PNG
(CHEMBL5090796)
Show SMILES CN(C(c1ccccc1)c1cccc(Br)c1)C(=O)Cn1ccnc1
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n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO-1 assessed as bilirubin formation incubated for 60 mins by double-beam spectrophotometry

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00633
BindingDB Entry DOI: 10.7270/Q23F4TJN
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50467686
PNG
(CHEMBL4289670)
Show SMILES Cc1ccc(NC(=O)c2ccc(OCCCCn3ccnc3)c(Br)c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C30H28BrN7O2/c1-21-6-8-24(18-27(21)37-30-34-12-10-26(36-30)23-5-4-11-32-19-23)35-29(39)22-7-9-28(25(31)17-22)40-16-3-2-14-38-15-13-33-20-38/h4-13,15,17-20H,2-3,14,16H2,1H3,(H,35,39)(H,34,36,37)
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n/an/a 920n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of heme oxygenase 1 in Sprague-Dawley rat spleen microsomal fraction assessed as decrease in bilirubin formation using biliverdin reductas...

Eur J Med Chem 158: 937-950 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.048
BindingDB Entry DOI: 10.7270/Q2NK3HQ4
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM31664
PNG
(imidazole-dioxolane, 16)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSC3CCCCC3)O2)cc1 |r|
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


(Rattus norvegicus (rat))		BDBM50467679
PNG
(CHEMBL4281817)
Show SMILES Cc1ccc(NC(=O)c2ccc(Br)cc2OCCCCn2ccnc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C30H28BrN7O2/c1-21-6-8-24(18-27(21)37-30-34-12-10-26(36-30)22-5-4-11-32-19-22)35-29(39)25-9-7-23(31)17-28(25)40-16-3-2-14-38-15-13-33-20-38/h4-13,15,17-20H,2-3,14,16H2,1H3,(H,35,39)(H,34,36,37)
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n/an/a 950n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of heme oxygenase 1 in Sprague-Dawley rat spleen microsomal fraction assessed as decrease in bilirubin formation using biliverdin reductas...

Eur J Med Chem 158: 937-950 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.048
BindingDB Entry DOI: 10.7270/Q2NK3HQ4
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50467690
PNG
(CHEMBL4289687)
Show SMILES Cc1ccc(OCCCCn2ccnc2)c(c1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C31H31N7O2/c1-22-7-10-29(40-17-4-3-15-38-16-14-33-21-38)26(18-22)30(39)35-25-9-8-23(2)28(19-25)37-31-34-13-11-27(36-31)24-6-5-12-32-20-24/h5-14,16,18-21H,3-4,15,17H2,1-2H3,(H,35,39)(H,34,36,37)
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n/an/a 950n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of heme oxygenase 1 in Sprague-Dawley rat spleen microsomal fraction assessed as decrease in bilirubin formation using biliverdin reductas...

Eur J Med Chem 158: 937-950 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.048
BindingDB Entry DOI: 10.7270/Q2NK3HQ4
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50587167
PNG
(CHEMBL5082833)
Show SMILES CN(C(c1ccccc1)c1ccc(I)cc1)C(=O)Cn1ccnc1
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n/an/a 950n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO-1 assessed as bilirubin formation incubated for 60 mins by double-beam spectrophotometry

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00633
BindingDB Entry DOI: 10.7270/Q23F4TJN
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM50315709
PNG
(CHEMBL4165415)
Show SMILES OC(Cn1ccnc1)c1ccc(OCc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C18H17BrN2O2/c19-16-5-1-14(2-6-16)12-23-17-7-3-15(4-8-17)18(22)11-21-10-9-20-13-21/h1-10,13,18,22H,11-12H2
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n/an/a 950n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins...

Eur J Med Chem 148: 54-62 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.007
BindingDB Entry DOI: 10.7270/Q28P633V
More data for this
Ligand-Target Pair
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