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Compile Data Set for Download or QSAR

Found 188 hits with Last Name = 'vukomanovic' and Initial = 'd'   
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))		BDBM84847
PNG
(1-azolyl-4-phenyl-2-butanone, 49a | CHEMBL558183)
Show SMILES C(CC1(Cn2ccnc2)OCCO1)c1ccccc1
Show InChI InChI=1S/C15H18N2O2/c1-2-4-14(5-3-1)6-7-15(18-10-11-19-15)12-17-9-8-16-13-17/h1-5,8-9,13H,6-7,10-12H2
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n/an/a 700n/an/an/an/a7.425



Queen's University



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

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


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme oxygenase 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
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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 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
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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 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
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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
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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 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
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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))		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
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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
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM50441450
PNG
(CHEMBL2436266)
Show SMILES Clc1cc(Cl)cc(Cn2c(CN3CCCC3)nc3ccccc23)c1
Show InChI InChI=1S/C19H19Cl2N3/c20-15-9-14(10-16(21)11-15)12-24-18-6-2-1-5-17(18)22-19(24)13-23-7-3-4-8-23/h1-2,5-6,9-11H,3-4,7-8,12-13H2
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n/an/a 2.10E+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))		BDBM84808
PNG
(1-azolyl-4-phenyl-2-butanone, 10 | 1-azolyl-4-phen...)
Show SMILES O=C(CCc1ccccc1)Cn1ncnn1
Show InChI InChI=1S/C11H12N4O/c16-11(8-15-13-9-12-14-15)7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2
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n/an/a 2.60E+3n/an/an/an/a7.425



Queen's University



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

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


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM50441425
PNG
(CHEMBL2436276)
Show SMILES Brc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C19H20BrN3/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
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n/an/a 2.60E+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))		BDBM50441449
PNG
(CHEMBL2436268)
Show SMILES C(Cn1c(CN2CCCC2)nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H23N3/c1-2-8-17(9-3-1)12-15-23-19-11-5-4-10-18(19)21-20(23)16-22-13-6-7-14-22/h1-5,8-11H,6-7,12-16H2
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n/an/a 2.70E+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))		BDBM50441448
PNG
(CHEMBL2436267)
Show SMILES C(N1CCCC1)c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C19H21N3/c1-2-8-16(9-3-1)14-22-18-11-5-4-10-17(18)20-19(22)15-21-12-6-7-13-21/h1-5,8-11H,6-7,12-15H2
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n/an/a 3.10E+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))		BDBM85747
PNG
(CAS_442-52-4 | CLEMIZOLE HYDROCHLORIDE | NSC_2782 ...)
Show SMILES Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C19H20ClN3/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
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n/an/a 3.40E+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))		BDBM50441447
PNG
(CHEMBL2436295)
Show SMILES [O-][N+](=O)c1ccccc1Cn1c(CN2CCCC2)nc2ccccc12
Show InChI InChI=1S/C19H20N4O2/c24-23(25)17-9-3-1-7-15(17)13-22-18-10-4-2-8-16(18)20-19(22)14-21-11-5-6-12-21/h1-4,7-10H,5-6,11-14H2
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n/an/a 3.50E+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 2


(Rattus norvegicus (rat))		BDBM50441428
PNG
(CHEMBL2436298)
Show SMILES Clc1ccc(Cl)c(Cn2c(CN3CCCC3)nc3ccccc23)c1
Show InChI InChI=1S/C19H19Cl2N3/c20-15-7-8-16(21)14(11-15)12-24-18-6-2-1-5-17(18)22-19(24)13-23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12-13H2
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n/an/a 4.00E+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
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM50441446
PNG
(CHEMBL2436294)
Show SMILES N#Cc1ccccc1Cn1c(CN2CCCC2)nc2ccccc12
Show InChI InChI=1S/C20H20N4/c21-13-16-7-1-2-8-17(16)14-24-19-10-4-3-9-18(19)22-20(24)15-23-11-5-6-12-23/h1-4,7-10H,5-6,11-12,14-15H2
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n/an/a 4.00E+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
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM50441445
PNG
(CHEMBL2436270)
Show SMILES C(N1CCCC1)c1nc2ccccc2n1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N3/c1-3-11-20(12-4-1)25(21-13-5-2-6-14-21)28-23-16-8-7-15-22(23)26-24(28)19-27-17-9-10-18-27/h1-8,11-16,25H,9-10,17-19H2
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n/an/a 4.10E+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))		BDBM50441444
PNG
(CHEMBL2436291)
Show SMILES Clc1ccccc1Cn1c(CN2CCCC2)nc2ccccc12
Show InChI InChI=1S/C19H20ClN3/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
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n/an/a 4.80E+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))		BDBM50441443
PNG
(CHEMBL2436288)
Show SMILES Cc1cccc(Cn2c(CN3CCCC3)nc3ccccc23)c1
Show InChI InChI=1S/C20H23N3/c1-16-7-6-8-17(13-16)14-23-19-10-3-2-9-18(19)21-20(23)15-22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3
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n/an/a 5.00E+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
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM50441442
PNG
(CHEMBL2436271)
Show SMILES C(N1CCCC1)c1nc2ccccc2n1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H23N3/c1-2-8-20-15-18(11-12-19(20)7-1)16-26-22-10-4-3-9-21(22)24-23(26)17-25-13-5-6-14-25/h1-4,7-12,15H,5-6,13-14,16-17H2
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n/an/a 5.00E+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
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM50441423
PNG
(CHEMBL2436278)
Show SMILES Cc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C20H23N3/c1-16-8-10-17(11-9-16)14-23-19-7-3-2-6-18(19)21-20(23)15-22-12-4-5-13-22/h2-3,6-11H,4-5,12-15H2,1H3
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n/an/a 5.00E+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
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM50441441
PNG
(CHEMBL2436272)
Show SMILES C(C1CCCCC1)n1c(CN2CCCC2)nc2ccccc12
Show InChI InChI=1S/C19H27N3/c1-2-8-16(9-3-1)14-22-18-11-5-4-10-17(18)20-19(22)15-21-12-6-7-13-21/h4-5,10-11,16H,1-3,6-9,12-15H2
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n/an/a 6.00E+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
Heme oxygenase 1


(Rattus norvegicus (rat))		BDBM84855
PNG
(1-azolyl-4-phenyl-2-butanone, 57a | CHEMBL536516)
Show SMILES OC(CCc1ccccc1)Cn1ccnc1 |w:1.0|
Show InChI InChI=1S/C13H16N2O/c16-13(10-15-9-8-14-11-15)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,13,16H,6-7,10H2
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n/an/a 6.00E+3n/an/an/an/a7.425



Queen's University



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

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


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM50441431
PNG
(CHEMBL2436297)
Show SMILES Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C19H19Cl2N3/c20-15-8-7-14(16(21)11-15)12-24-18-6-2-1-5-17(18)22-19(24)13-23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12-13H2
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n/an/a 6.10E+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))		BDBM50441424
PNG
(CHEMBL2436277)
Show SMILES Ic1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C19H20IN3/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
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n/an/a 7.60E+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 1


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



Queen's University



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

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


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM50441440
PNG
(CHEMBL2436264)
Show SMILES Clc1cccc(Cl)c1Cn1c(CN2CCCC2)nc2ccccc12
Show InChI InChI=1S/C19H19Cl2N3/c20-15-6-5-7-16(21)14(15)12-24-18-9-2-1-8-17(18)22-19(24)13-23-10-3-4-11-23/h1-2,5-9H,3-4,10-13H2
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n/an/a 9.20E+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))		BDBM84856
PNG
(1-azolyl-4-phenyl-2-butanone, 58)
Show SMILES OC(CCc1ccccc1)Cn1cncn1 |w:1.0|
Show InChI InChI=1S/C12H15N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10,12,16H,6-8H2
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n/an/a 1.02E+4n/an/an/an/a7.425



Queen's University



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

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


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM50441439
PNG
(CHEMBL2436283)
Show SMILES N#Cc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C20H20N4/c21-13-16-7-9-17(10-8-16)14-24-19-6-2-1-5-18(19)22-20(24)15-23-11-3-4-12-23/h1-2,5-10H,3-4,11-12,14-15H2
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n/an/a 1.10E+4n/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))		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 1.10E+4n/an/an/an/a7.425



Queen's University



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

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


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


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



Queen's University



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

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


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM50441438
PNG
(CHEMBL2436296)
Show SMILES Clc1cccc(Cn2c(CN3CCCC3)nc3ccccc23)c1Cl
Show InChI InChI=1S/C19H19Cl2N3/c20-15-7-5-6-14(19(15)21)12-24-17-9-2-1-8-16(17)22-18(24)13-23-10-3-4-11-23/h1-2,5-9H,3-4,10-13H2
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n/an/a 1.47E+4n/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))		BDBM84860
PNG
(1-azolyl-4-phenyl-2-butanone, 62)
Show SMILES OC(CCc1ccccc1)Cn1cnc(c1)-c1ccccc1 |w:1.0|
Show InChI InChI=1S/C19H20N2O/c22-18(12-11-16-7-3-1-4-8-16)13-21-14-19(20-15-21)17-9-5-2-6-10-17/h1-10,14-15,18,22H,11-13H2
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n/an/a 1.50E+4n/an/an/an/a7.425



Queen's University



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

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


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM50441420
PNG
(CHEMBL2436281)
Show SMILES CSc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C20H23N3S/c1-24-17-10-8-16(9-11-17)14-23-19-7-3-2-6-18(19)21-20(23)15-22-12-4-5-13-22/h2-3,6-11H,4-5,12-15H2,1H3
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n/an/a 1.50E+4n/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))		BDBM50441437
PNG
(CHEMBL2436284)
Show SMILES FC(F)(F)c1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C20H20F3N3/c21-20(22,23)16-9-7-15(8-10-16)13-26-18-6-2-1-5-17(18)24-19(26)14-25-11-3-4-12-25/h1-2,5-10H,3-4,11-14H2
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n/an/a 1.56E+4n/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))		BDBM50441436
PNG
(CHEMBL2436289)
Show SMILES N#Cc1cccc(Cn2c(CN3CCCC3)nc3ccccc23)c1
Show InChI InChI=1S/C20H20N4/c21-13-16-6-5-7-17(12-16)14-24-19-9-2-1-8-18(19)22-20(24)15-23-10-3-4-11-23/h1-2,5-9,12H,3-4,10-11,14-15H2
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n/an/a 1.58E+4n/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))		BDBM84855
PNG
(1-azolyl-4-phenyl-2-butanone, 57a | CHEMBL536516)
Show SMILES OC(CCc1ccccc1)Cn1ccnc1 |w:1.0|
Show InChI InChI=1S/C13H16N2O/c16-13(10-15-9-8-14-11-15)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,13,16H,6-7,10H2
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n/an/a 1.60E+4n/an/an/an/a7.425



Queen's University



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

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


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM50441435
PNG
(CHEMBL2436265)
Show SMILES Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1Cl
Show InChI InChI=1S/C19H19Cl2N3/c20-15-8-7-14(11-16(15)21)12-24-18-6-2-1-5-17(18)22-19(24)13-23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12-13H2
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n/an/a 1.70E+4n/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))		BDBM50441421
PNG
(CHEMBL2436280)
Show SMILES COc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C20H23N3O/c1-24-17-10-8-16(9-11-17)14-23-19-7-3-2-6-18(19)21-20(23)15-22-12-4-5-13-22/h2-3,6-11H,4-5,12-15H2,1H3
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n/an/a 1.80E+4n/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))		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/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))		BDBM84826
PNG
(1-azolyl-4-phenyl-2-butanone, 28)
Show SMILES Brc1cncn1CC(=O)CCc1ccccc1
Show InChI InChI=1S/C13H13BrN2O/c14-13-8-15-10-16(13)9-12(17)7-6-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2
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n/an/a 2.20E+4n/an/an/an/a7.425



Queen's University



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

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


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM50441434
PNG
(CHEMBL2436285)
Show SMILES [O-][N+](=O)c1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C19H20N4O2/c24-23(25)16-9-7-15(8-10-16)13-22-18-6-2-1-5-17(18)20-19(22)14-21-11-3-4-12-21/h1-2,5-10H,3-4,11-14H2
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n/an/a 2.70E+4n/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))		BDBM50441433
PNG
(CHEMBL2436273)
Show SMILES CCCn1c(CN2CCCC2)nc2ccccc12
Show InChI InChI=1S/C15H21N3/c1-2-9-18-14-8-4-3-7-13(14)16-15(18)12-17-10-5-6-11-17/h3-4,7-8H,2,5-6,9-12H2,1H3
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n/an/a 2.70E+4n/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))		BDBM84808
PNG
(1-azolyl-4-phenyl-2-butanone, 10 | 1-azolyl-4-phen...)
Show SMILES O=C(CCc1ccccc1)Cn1ncnn1
Show InChI InChI=1S/C11H12N4O/c16-11(8-15-13-9-12-14-15)7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2
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n/an/a 3.00E+4n/an/an/an/a7.425



Queen's University



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

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


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


(Rattus norvegicus (rat))		BDBM84822
PNG
(1-azolyl-4-phenyl-2-butanone, 24)
Show SMILES O=C(CCc1ccccc1)Cn1cnc(c1)-c1ccccc1
Show InChI InChI=1S/C19H18N2O/c22-18(12-11-16-7-3-1-4-8-16)13-21-14-19(20-15-21)17-9-5-2-6-10-17/h1-10,14-15H,11-13H2
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n/an/a 3.20E+4n/an/an/an/a7.425



Queen's University



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

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


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


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



Queen's University



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

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


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


(Rattus norvegicus (rat))		BDBM84819
PNG
(1-azolyl-4-phenyl-2-butanone, 21)
Show SMILES O=C(CCc1ccccc1)Cn1cnc(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H22N2O/c28-23(17-16-20-10-4-1-5-11-20)18-27-19-26-24(21-12-6-2-7-13-21)25(27)22-14-8-3-9-15-22/h1-15,19H,16-18H2
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n/an/a 4.00E+4n/an/an/an/a7.425



Queen's University



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

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


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


(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
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n/an/a 4.20E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in Sprague-Dawley rat spleen microsomal fractions assessed as carbon monoxide formation from methemalbumin after 10 mins by gas ch...

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))		BDBM84857
PNG
(1-azolyl-4-phenyl-2-butanone, 59)
Show SMILES OC(CCc1ccccc1)Cn1ccnn1 |w:1.0|
Show InChI InChI=1S/C12H15N3O/c16-12(10-15-9-8-13-14-15)7-6-11-4-2-1-3-5-11/h1-5,8-9,12,16H,6-7,10H2
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n/an/a 4.40E+4n/an/an/an/a7.425



Queen's University



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

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


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))		BDBM84856
PNG
(1-azolyl-4-phenyl-2-butanone, 58)
Show SMILES OC(CCc1ccccc1)Cn1cncn1 |w:1.0|
Show InChI InChI=1S/C12H15N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10,12,16H,6-8H2
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n/an/a 5.40E+4n/an/an/an/a7.425



Queen's University



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

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


Article DOI: 10.1111/j.1747-0285.2009.00909.x
BindingDB Entry DOI: 10.7270/Q25B0101
More data for this
Ligand-Target Pair
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