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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50001706   
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))
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))
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



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))
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 2


(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 460n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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))
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))
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 2


(Rattus norvegicus (rat))
BDBM50079990
PNG
(CHEMBL3415252)
Show SMILES Clc1ccc2sc(SCCCCn3ccnc3)nc2c1
Show InChI InChI=1S/C14H14ClN3S2/c15-11-3-4-13-12(9-11)17-14(20-13)19-8-2-1-6-18-7-5-16-10-18/h3-5,7,9-10H,1-2,6,8H2
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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-2 in Sprague-Dawley albino rat brain 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 2


(Rattus norvegicus (rat))
BDBM50079983
PNG
(CHEMBL3415244)
Show SMILES Ic1ccc(OCCCCCn2ccnc2)cc1
Show InChI InChI=1S/C14H17IN2O/c15-13-4-6-14(7-5-13)18-11-3-1-2-9-17-10-8-16-12-17/h4-8,10,12H,1-3,9,11H2
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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-2 in Sprague-Dawley albino rat brain 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 2


(Rattus norvegicus (rat))
BDBM50079985
PNG
(CHEMBL3415242)
Show SMILES Brc1cccc(OCCCCCn2ccnc2)c1
Show InChI InChI=1S/C14H17BrN2O/c15-13-5-4-6-14(11-13)18-10-3-1-2-8-17-9-7-16-12-17/h4-7,9,11-12H,1-3,8,10H2
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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-2 in Sprague-Dawley albino rat brain 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 2


(Rattus norvegicus (rat))
BDBM50079989
PNG
(CHEMBL3415253)
Show SMILES Clc1ccc2sc(SCCCCCn3ccnc3)nc2c1
Show InChI InChI=1S/C15H16ClN3S2/c16-12-4-5-14-13(10-12)18-15(21-14)20-9-3-1-2-7-19-8-6-17-11-19/h4-6,8,10-11H,1-3,7,9H2
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n/an/a 900n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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))
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))
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
Heme oxygenase 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 |r|
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/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))
BDBM84805
PNG
(1-azolyl-4-phenyl-2-butanone, 7)
Show SMILES O=C(CCc1ccccc1)Cn1cncn1
Show InChI InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
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n/an/a 2.50E+3n/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))
BDBM50183062
PNG
(1-((2-(2-(4-chlorophenyl)ethyl)-1,3-dioxolan-2-yl)...)
Show SMILES Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
Show InChI InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
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n/an/a 2.80E+3n/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 (crystal)
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50315701
PNG
(CHEMBL4175154)
Show SMILES O=C(Cn1cncn1)C12CC3CC(CC(C3)C1)C2 |TLB:1:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8,1:8:11:15.14.13|
Show InChI InChI=1S/C14H19N3O/c18-13(7-17-9-15-8-16-17)14-4-10-1-11(5-14)3-12(2-10)6-14/h8-12H,1-7H2
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n/an/a 3.00E+3n/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))
BDBM50044424
PNG
(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



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 2


(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 1.05E+4n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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 2


(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 1.17E+4n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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))
BDBM50271644
PNG
(1-Biphenyl-4-yl-2-imidazol-1-yl-ethanol | CHEMBL48...)
Show SMILES OC(Cn1ccnc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N2O/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-11,13,17,20H,12H2
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n/an/a 1.17E+4n/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))
BDBM50316080
PNG
(CHEMBL4176027)
Show SMILES OC(Cn1ccnc1)c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H17ClN2O2/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 1.31E+4n/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))
BDBM50315710
PNG
(CHEMBL4167218)
Show SMILES OC(Cn1ccnc1)c1ccc(I)cc1
Show InChI InChI=1S/C11H11IN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8,11,15H,7H2
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n/an/a 1.48E+4n/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 2


(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 |r|
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 1.60E+4n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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 2


(Rattus norvegicus (rat))
BDBM84805
PNG
(1-azolyl-4-phenyl-2-butanone, 7)
Show SMILES O=C(CCc1ccccc1)Cn1cncn1
Show InChI InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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 2


(Rattus norvegicus (rat))
BDBM50044424
PNG
(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
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n/an/a 2.44E+4n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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))
BDBM50316142
PNG
(CHEMBL4172634)
Show SMILES OC(Cn1ccnc1)c1ccc(OCc2ccc(I)cc2)cc1
Show InChI InChI=1S/C18H17IN2O2/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 2.45E+4n/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))
BDBM50315721
PNG
(CHEMBL4170601)
Show SMILES OC(Cn1ccnc1)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/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 2.69E+4n/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))
BDBM50316141
PNG
(CHEMBL4164100)
Show SMILES OC(Cn1ccnc1)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C18H18N2O/c21-18(13-20-11-10-19-14-20)17-8-6-16(7-9-17)12-15-4-2-1-3-5-15/h1-11,14,18,21H,12-13H2
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n/an/a 2.69E+4n/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 2


(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 3.20E+4n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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))
BDBM50079989
PNG
(CHEMBL3415253)
Show SMILES Clc1ccc2sc(SCCCCCn3ccnc3)nc2c1
Show InChI InChI=1S/C15H16ClN3S2/c16-12-4-5-14-13(10-12)18-15(21-14)20-9-3-1-2-7-19-8-6-17-11-19/h4-6,8,10-11H,1-3,7,9H2
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n/an/a 3.63E+4n/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))
BDBM50079985
PNG
(CHEMBL3415242)
Show SMILES Brc1cccc(OCCCCCn2ccnc2)c1
Show InChI InChI=1S/C14H17BrN2O/c15-13-5-4-6-14(11-13)18-10-3-1-2-8-17-9-7-16-12-17/h4-7,9,11-12H,1-3,8,10H2
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n/an/a 4.26E+4n/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))
BDBM50079983
PNG
(CHEMBL3415244)
Show SMILES Ic1ccc(OCCCCCn2ccnc2)cc1
Show InChI InChI=1S/C14H17IN2O/c15-13-4-6-14(7-5-13)18-11-3-1-2-9-17-10-8-16-12-17/h4-8,10,12H,1-3,9,11H2
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n/an/a 4.40E+4n/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))
BDBM50079990
PNG
(CHEMBL3415252)
Show SMILES Clc1ccc2sc(SCCCCn3ccnc3)nc2c1
Show InChI InChI=1S/C14H14ClN3S2/c15-11-3-4-13-12(9-11)17-14(20-13)19-8-2-1-6-18-7-5-16-10-18/h3-5,7,9-10H,1-2,6,8H2
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n/an/a>1.00E+5n/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 2


(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>1.00E+5n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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 2


(Rattus norvegicus (rat))
BDBM50315701
PNG
(CHEMBL4175154)
Show SMILES O=C(Cn1cncn1)C12CC3CC(CC(C3)C1)C2 |TLB:1:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8,1:8:11:15.14.13|
Show InChI InChI=1S/C14H19N3O/c18-13(7-17-9-15-8-16-17)14-4-10-1-11(5-14)3-12(2-10)6-14/h8-12H,1-7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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 2


(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>1.00E+5n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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 2


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



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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 2


(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>1.00E+5n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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 2


(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>1.00E+5n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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 2


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



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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 2


(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>1.00E+5n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley albino rat brain 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