BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 388 hits with Last Name = 'szarek' and Initial = 'wa'   
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 2


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50190798
PNG
(3-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Show SMILES Nc1cccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/t20-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/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
Heme oxygenase 1


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.03E+3n/an/an/an/a7.437



Queen's University



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


Bioorg Med Chem 17: 2461-75 (2009)


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


(Rattus norvegicus (rat))
BDBM31770
PNG
(Exelderm | Sulconazole Nitrate | cid_65495 | sulco...)
Show SMILES Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/a7.437



Queen's University



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


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))
BDBM31682
PNG
(imidazole-dioxolane, 32)
Show SMILES FC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
Show InChI InChI=1S/C16H18ClFN2O2/c17-14-3-1-13(2-4-14)5-6-16(11-20-8-7-19-12-20)21-10-15(9-18)22-16/h1-4,7-8,12,15H,5-6,9-11H2/t15-,16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/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
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50441453
PNG
(CHEMBL2436290)
Show SMILES [O-][N+](=O)c1cccc(Cn2c(CN3CCCC3)nc3ccccc23)c1
Show InChI InChI=1S/C19H20N4O2/c24-23(25)16-7-5-6-15(12-16)13-22-18-9-2-1-8-17(18)20-19(22)14-21-10-3-4-11-21/h1-2,5-9,12H,3-4,10-11,13-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley rat brain microsomal fractions assessed as carbon monoxide formation from methemalbumin after 10 mins by gas chr...


Bioorg Med Chem 21: 6788-95 (2013)


Article DOI: 10.1016/j.bmc.2013.07.050
BindingDB Entry DOI: 10.7270/Q27082VV
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM31675
PNG
(imidazole-dioxolane, 27)
Show SMILES COc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
Show InChI InChI=1S/C23H25ClN2O4/c1-27-20-6-8-21(9-7-20)28-14-22-15-29-23(30-22,16-26-13-12-25-17-26)11-10-18-2-4-19(24)5-3-18/h2-9,12-13,17,22H,10-11,14-16H2,1H3/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.33E+3n/an/an/an/a7.437



Queen's University



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


Bioorg Med Chem 17: 2461-75 (2009)


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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/a7.437



Queen's University



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


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Cytochrome P450 3A1


(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
UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Queen's University



Assay Description
CYP3A1/3A2-catalyzed erythromycin N-demethylase activity was determined by the spectrophotometric measurement of formaldehyde. Briefly, reaction mixt...


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


(Homo sapiens (Human))
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of human 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
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50441452
PNG
(CHEMBL2436287)
Show SMILES Brc1cccc(Cn2c(CN3CCCC3)nc3ccccc23)c1
Show InChI InChI=1S/C19H20BrN3/c20-16-7-5-6-15(12-16)13-23-18-9-2-1-8-17(18)21-19(23)14-22-10-3-4-11-22/h1-2,5-9,12H,3-4,10-11,13-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley rat brain microsomal fractions assessed as carbon monoxide formation from methemalbumin after 10 mins by gas chr...


Bioorg Med Chem 21: 6788-95 (2013)


Article DOI: 10.1016/j.bmc.2013.07.050
BindingDB Entry DOI: 10.7270/Q27082VV
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.59E+3n/an/an/an/a7.437



Queen's University



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


Bioorg Med Chem 17: 2461-75 (2009)


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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60E+3n/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 2


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/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
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50441432
PNG
(CHEMBL2436292)
Show SMILES Brc1ccccc1Cn1c(CN2CCCC2)nc2ccccc12
Show InChI InChI=1S/C19H20BrN3/c20-16-8-2-1-7-15(16)13-23-18-10-4-3-9-17(18)21-19(23)14-22-11-5-6-12-22/h1-4,7-10H,5-6,11-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley rat brain microsomal fractions assessed as carbon monoxide formation from methemalbumin after 10 mins by gas chr...


Bioorg Med Chem 21: 6788-95 (2013)


Article DOI: 10.1016/j.bmc.2013.07.050
BindingDB Entry DOI: 10.7270/Q27082VV
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50441451
PNG
(CHEMBL2436286)
Show SMILES Clc1cccc(Cn2c(CN3CCCC3)nc3ccccc23)c1
Show InChI InChI=1S/C19H20ClN3/c20-16-7-5-6-15(12-16)13-23-18-9-2-1-8-17(18)21-19(23)14-22-10-3-4-11-22/h1-2,5-9,12H,3-4,10-11,13-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.65E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley rat brain microsomal fractions assessed as carbon monoxide formation from methemalbumin after 10 mins by gas chr...


Bioorg Med Chem 21: 6788-95 (2013)


Article DOI: 10.1016/j.bmc.2013.07.050
BindingDB Entry DOI: 10.7270/Q27082VV
More data for this
Ligand-Target Pair
Heme oxygenase 1


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


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


(Rattus norvegicus (rat))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/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
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM31687
PNG
(imidazole-dioxolane, 37)
Show SMILES COC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
Show InChI InChI=1S/C17H21ClN2O3/c1-21-10-16-11-22-17(23-16,12-20-9-8-19-13-20)7-6-14-2-4-15(18)5-3-14/h2-5,8-9,13,16H,6-7,10-12H2,1H3/t16-,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.73E+3n/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 2


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


Article DOI: 10.1016/j.bmc.2007.02.034
BindingDB Entry DOI: 10.7270/Q2MG7QBV
More data for this
Ligand-Target Pair
Cytochrome P450 3A1


(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
UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Queen's University



Assay Description
CYP3A1/3A2-catalyzed erythromycin N-demethylase activity was determined by the spectrophotometric measurement of formaldehyde. Briefly, reaction mixt...


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))
BDBM31669
PNG
(imidazole-dioxolane, 21)
Show SMILES Oc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
Show InChI InChI=1S/C22H23ClN2O4/c23-18-3-1-17(2-4-18)9-10-22(15-25-12-11-24-16-25)28-14-21(29-22)13-27-20-7-5-19(26)6-8-20/h1-8,11-12,16,21,26H,9-10,13-15H2/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/a7.437



Queen's University



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


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50441429
PNG
(CHEMBL2436293)
Show SMILES Cc1ccccc1Cn1c(CN2CCCC2)nc2ccccc12
Show InChI InChI=1S/C20H23N3/c1-16-8-2-3-9-17(16)14-23-19-11-5-4-10-18(19)21-20(23)15-22-12-6-7-13-22/h2-5,8-11H,6-7,12-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley rat brain microsomal fractions assessed as carbon monoxide formation from methemalbumin after 10 mins by gas chr...


Bioorg Med Chem 21: 6788-95 (2013)


Article DOI: 10.1016/j.bmc.2013.07.050
BindingDB Entry DOI: 10.7270/Q27082VV
More data for this
Ligand-Target Pair
Heme oxygenase 2


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome HO2


Bioorg Med Chem 15: 3225-34 (2007)


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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat spleen microsome HO1


Bioorg Med Chem 15: 3225-34 (2007)


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


(Rattus norvegicus (rat))
BDBM50441426
PNG
(CHEMBL2436275)
Show SMILES Fc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C19H20FN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley rat brain microsomal fractions assessed as carbon monoxide formation from methemalbumin after 10 mins by gas chr...


Bioorg Med Chem 21: 6788-95 (2013)


Article DOI: 10.1016/j.bmc.2013.07.050
BindingDB Entry DOI: 10.7270/Q27082VV
More data for this
Ligand-Target Pair
Cytochrome P450 3A1


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

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Queen's University



Assay Description
CYP3A1/3A2-catalyzed erythromycin N-demethylase activity was determined by the spectrophotometric measurement of formaldehyde. Briefly, reaction mixt...


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
Cytochrome P450 3A1


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

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Queen's University



Assay Description
CYP3A1/3A2-catalyzed erythromycin N-demethylase activity was determined by the spectrophotometric measurement of formaldehyde. Briefly, reaction mixt...


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))
BDBM31674
PNG
(imidazole-dioxolane, 26)
Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(cc3)-c3ccccc3)O2)cc1 |r|
Show InChI InChI=1S/C28H27ClN2O3/c29-25-10-6-22(7-11-25)14-15-28(20-31-17-16-30-21-31)33-19-27(34-28)18-32-26-12-8-24(9-13-26)23-4-2-1-3-5-23/h1-13,16-17,21,27H,14-15,18-20H2/t27-,28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/a7.437



Queen's University



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


Bioorg Med Chem 17: 2461-75 (2009)


Article DOI: 10.1016/j.bmc.2009.01.078
BindingDB Entry DOI: 10.7270/Q2WQ0250
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 388 total )  |  Next  |  Last  >>
Jump to: