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Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50009283   
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))
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))
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))
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/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))
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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n/an/a 400n/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))
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 2


(Rattus norvegicus (rat))
BDBM50526823
PNG
(CHEMBL4568996)
Show SMILES Brc1ccc(cc1)-c1ccc(cc1)C(=O)Cn1ccnc1
Show InChI InChI=1S/C17H13BrN2O/c18-16-7-5-14(6-8-16)13-1-3-15(4-2-13)17(21)11-20-10-9-19-12-20/h1-10,12H,11H2
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n/an/a 430n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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))
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))
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 2


(Rattus norvegicus (rat))
BDBM50526827
PNG
(CHEMBL162181)
Show SMILES O=C(Cn1ccnc1)c1ccc(CCc2ccccc2)cc1
Show InChI InChI=1S/C19H18N2O/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/h1-5,8-13,15H,6-7,14H2
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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 brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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))
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 2


(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 1.00E+3n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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))
BDBM50526833
PNG
(CHEMBL4455350)
Show SMILES C(CCn1ccnc1)CSc1ccccc1
Show InChI InChI=1S/C13H16N2S/c1-2-6-13(7-3-1)16-11-5-4-9-15-10-8-14-12-15/h1-3,6-8,10,12H,4-5,9,11H2
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n/an/a 1.20E+3n/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))
BDBM50526829
PNG
(CHEMBL4470201)
Show SMILES Clc1ccc(cc1Cl)C(=O)Cn1ccnc1
Show InChI InChI=1S/C11H8Cl2N2O/c12-9-2-1-8(5-10(9)13)11(16)6-15-4-3-14-7-15/h1-5,7H,6H2
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n/an/a 1.24E+3n/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))
BDBM50526823
PNG
(CHEMBL4568996)
Show SMILES Brc1ccc(cc1)-c1ccc(cc1)C(=O)Cn1ccnc1
Show InChI InChI=1S/C17H13BrN2O/c18-16-7-5-14(6-8-16)13-1-3-15(4-2-13)17(21)11-20-10-9-19-12-20/h1-10,12H,11H2
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n/an/a 1.50E+3n/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))
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 1.50E+3n/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))
BDBM31657
PNG
(imidazole-dioxolane, 9)
Show SMILES Oc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
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/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))
BDBM50526826
PNG
(CHEMBL4520367)
Show SMILES O=C(Cn1ccnc1)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O/c21-18(13-20-11-10-19-14-20)17-8-6-16(7-9-17)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2
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n/an/a 1.99E+3n/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))
BDBM50526837
PNG
(CHEMBL4550885)
Show SMILES OC(Cn1ccnc1)CC12CC3CC(CC(C3)C1)C2 |TLB:8:9:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.18:10,17:15:12:18.9.10,17:9:12:16.14.15|
Show InChI InChI=1S/C16H24N2O/c19-15(10-18-2-1-17-11-18)9-16-6-12-3-13(7-16)5-14(4-12)8-16/h1-2,11-15,19H,3-10H2
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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))
BDBM50526825
PNG
(CHEMBL423457)
Show SMILES O=C(Cn1ccnc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-11,13H,12H2
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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))
BDBM50526819
PNG
(CHEMBL4584763)
Show SMILES Clc1ccc(C(=O)Cn2ccnc2)c(Cl)c1Cl
Show InChI InChI=1S/C11H7Cl3N2O/c12-8-2-1-7(10(13)11(8)14)9(17)5-16-4-3-15-6-16/h1-4,6H,5H2
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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))
BDBM50526830
PNG
(CHEMBL163271)
Show SMILES O=C(Cn1ccnc1)c1cccc2ccccc12
Show InChI InChI=1S/C15H12N2O/c18-15(10-17-9-8-16-11-17)14-7-3-5-12-4-1-2-6-13(12)14/h1-9,11H,10H2
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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 2


(Rattus norvegicus (rat))
BDBM50526826
PNG
(CHEMBL4520367)
Show SMILES O=C(Cn1ccnc1)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O/c21-18(13-20-11-10-19-14-20)17-8-6-16(7-9-17)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2
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University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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))
BDBM50526832
PNG
(CHEMBL4453709)
Show SMILES O=C(Cn1cncn1)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C17H15N3O/c21-17(11-20-13-18-12-19-20)16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2
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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))
BDBM50526820
PNG
(CHEMBL4536337)
Show SMILES C(CCCn1ccnc1)CCc1ccccc1
Show InChI InChI=1S/C15H20N2/c1(2-7-12-17-13-11-16-14-17)4-8-15-9-5-3-6-10-15/h3,5-6,9-11,13-14H,1-2,4,7-8,12H2
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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 2


(Rattus norvegicus (rat))
BDBM50526825
PNG
(CHEMBL423457)
Show SMILES O=C(Cn1ccnc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-11,13H,12H2
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University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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 2


(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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University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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 2


(Rattus norvegicus (rat))
BDBM50526849
PNG
(CHEMBL4516867)
Show SMILES Cc1ccc(cc1)S(=O)(=O)C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
Show InChI InChI=1S/C23H25ClN2O4S/c1-18-2-8-22(9-3-18)31(27,28)15-21-14-29-23(30-21,16-26-13-12-25-17-26)11-10-19-4-6-20(24)7-5-19/h2-9,12-13,17,21H,10-11,14-16H2,1H3/t21-,23+/m0/s1
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University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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 2


(Rattus norvegicus (rat))
BDBM50526843
PNG
(CHEMBL4540989)
Show SMILES Clc1ccc(Cn2c(CC3CCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C20H21ClN2/c21-17-11-9-16(10-12-17)14-23-19-8-4-3-7-18(19)22-20(23)13-15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13-14H2
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University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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))
BDBM50526836
PNG
(CHEMBL4539662)
Show SMILES C(Cn1ccnc1)SCc1ccccc1
Show InChI InChI=1S/C12H14N2S/c1-2-4-12(5-3-1)10-15-9-8-14-7-6-13-11-14/h1-7,11H,8-10H2
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n/an/a 4.00E+3n/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))
BDBM50526834
PNG
(CHEMBL4435281)
Show SMILES O=C(Cn1ccnc1)c1ccc2CCCCc2c1
Show InChI InChI=1S/C15H16N2O/c18-15(10-17-8-7-16-11-17)14-6-5-12-3-1-2-4-13(12)9-14/h5-9,11H,1-4,10H2
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n/an/a 4.00E+3n/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))
BDBM50526827
PNG
(CHEMBL162181)
Show SMILES O=C(Cn1ccnc1)c1ccc(CCc2ccccc2)cc1
Show InChI InChI=1S/C19H18N2O/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/h1-5,8-13,15H,6-7,14H2
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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))
BDBM50438656
PNG
(CHEMBL2414445)
Show SMILES C(CCn1ccnc1)COc1ccccc1
Show InChI InChI=1S/C13H16N2O/c1-2-6-13(7-3-1)16-11-5-4-9-15-10-8-14-12-15/h1-3,6-8,10,12H,4-5,9,11H2
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n/an/a 4.00E+3n/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 2


(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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University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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 2


(Rattus norvegicus (rat))
BDBM50526845
PNG
(CHEMBL4454118)
Show SMILES Clc1ccc(Cn2c(CC3CC4CCC3C4)nc3ccccc23)cc1 |TLB:8:9:15:12.13|
Show InChI InChI=1S/C22H23ClN2/c23-19-9-6-15(7-10-19)14-25-21-4-2-1-3-20(21)24-22(25)13-18-12-16-5-8-17(18)11-16/h1-4,6-7,9-10,16-18H,5,8,11-14H2
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University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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 2


(Rattus norvegicus (rat))
BDBM50438656
PNG
(CHEMBL2414445)
Show SMILES C(CCn1ccnc1)COc1ccccc1
Show InChI InChI=1S/C13H16N2O/c1-2-6-13(7-3-1)16-11-5-4-9-15-10-8-14-12-15/h1-3,6-8,10,12H,4-5,9,11H2
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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 2


(Rattus norvegicus (rat))
BDBM50526829
PNG
(CHEMBL4470201)
Show SMILES Clc1ccc(cc1Cl)C(=O)Cn1ccnc1
Show InChI InChI=1S/C11H8Cl2N2O/c12-9-2-1-8(5-10(9)13)11(16)6-15-4-3-14-7-15/h1-5,7H,6H2
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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 2


(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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University of Catania

Curated by ChEMBL


Assay Description
Inhibition of rat brain microsome HO-2 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 2


(Rattus norvegicus (rat))
BDBM50526833
PNG
(CHEMBL4455350)
Show SMILES C(CCn1ccnc1)CSc1ccccc1
Show InChI InChI=1S/C13H16N2S/c1-2-6-13(7-3-1)16-11-5-4-9-15-10-8-14-12-15/h1-3,6-8,10,12H,4-5,9,11H2
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University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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))
BDBM50526828
PNG
(CHEMBL163079)
Show SMILES O=C(Cn1ccnc1)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C17H20N2O/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-11,13-14H,1-5,12H2
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n/an/a 5.00E+3n/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 2


(Rattus norvegicus (rat))
BDBM50526846
PNG
(CHEMBL4559629)
Show SMILES Brc1ccc(Cn2c(CC3CC4CCC3C4)nc3ccccc23)cc1 |TLB:8:9:15:12.13|
Show InChI InChI=1S/C22H23BrN2/c23-19-9-6-15(7-10-19)14-25-21-4-2-1-3-20(21)24-22(25)13-18-12-16-5-8-17(18)11-16/h1-4,6-7,9-10,16-18H,5,8,11-14H2
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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 2


(Rattus norvegicus (rat))
BDBM50526847
PNG
(CHEMBL4464730)
Show SMILES Clc1ccc(Cn2c(CC3CCCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C21H23ClN2/c22-18-12-10-17(11-13-18)15-24-20-9-5-4-8-19(20)23-21(24)14-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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 2


(Rattus norvegicus (rat))
BDBM50526848
PNG
(CHEMBL4448858)
Show SMILES Brc1ccc(Cn2c(CC3CCCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C21H23BrN2/c22-18-12-10-17(11-13-18)15-24-20-9-5-4-8-19(20)23-21(24)14-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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 2


(Rattus norvegicus (rat))
BDBM50526819
PNG
(CHEMBL4584763)
Show SMILES Clc1ccc(C(=O)Cn2ccnc2)c(Cl)c1Cl
Show InChI InChI=1S/C11H7Cl3N2O/c12-8-2-1-7(10(13)11(8)14)9(17)5-16-4-3-15-6-16/h1-4,6H,5H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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 2


(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 6.00E+3n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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 2


(Rattus norvegicus (rat))
BDBM50526828
PNG
(CHEMBL163079)
Show SMILES O=C(Cn1ccnc1)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C17H20N2O/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-11,13-14H,1-5,12H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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 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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Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...


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))
BDBM50526849
PNG
(CHEMBL4516867)
Show SMILES Cc1ccc(cc1)S(=O)(=O)C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
Show InChI InChI=1S/C23H25ClN2O4S/c1-18-2-8-22(9-3-18)31(27,28)15-21-14-29-23(30-21,16-26-13-12-25-17-26)11-10-19-4-6-20(24)7-5-19/h2-9,12-13,17,21H,10-11,14-16H2,1H3/t21-,23+/m0/s1
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n/an/a 6.00E+3n/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
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