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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50043458   
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 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 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))		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))		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))		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 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 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 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))		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 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))		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))		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 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 2


(Rattus norvegicus (rat))		BDBM50441422
PNG
(CHEMBL2436279)
Show SMILES CC(C)c1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C22H27N3/c1-17(2)19-11-9-18(10-12-19)15-25-21-8-4-3-7-20(21)23-22(25)16-24-13-5-6-14-24/h3-4,7-12,17H,5-6,13-16H2,1-2H3
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n/an/a 5.50E+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 1


(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 6.20E+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 2


(Rattus norvegicus (rat))		BDBM50441430
PNG
(CHEMBL2436282)
Show SMILES C(Oc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1)c1ccccc1
Show InChI InChI=1S/C26H27N3O/c1-2-8-22(9-3-1)20-30-23-14-12-21(13-15-23)18-29-25-11-5-4-10-24(25)27-26(29)19-28-16-6-7-17-28/h1-5,8-15H,6-7,16-20H2
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n/an/a 6.30E+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))		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 7.60E+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))		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 9.60E+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))		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>1.00E+5n/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))		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>1.00E+5n/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))		BDBM50441455
PNG
(CHEMBL2436269)
Show SMILES C(Cn1c(CN2CCCC2)nc2ccccc12)Oc1ccccc1
Show InChI InChI=1S/C20H23N3O/c1-2-8-17(9-3-1)24-15-14-23-19-11-5-4-10-18(19)21-20(23)16-22-12-6-7-13-22/h1-5,8-11H,6-7,12-16H2
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n/an/a>1.00E+5n/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))		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>1.00E+5n/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))		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>1.00E+5n/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))		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>1.00E+5n/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))		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>1.00E+5n/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))		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>1.00E+5n/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))		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>1.00E+5n/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))		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>1.00E+5n/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))		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>1.00E+5n/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))		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>1.00E+5n/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
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