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PubMed code 17845019

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 2.32E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221758
PNG
(2-benzyl-6-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one...)
Show SMILES Oc1cccc2nc(Cc3ccccc3)cc(=O)n12
Show InChI InChI=1S/C15H12N2O2/c18-14-8-4-7-13-16-12(10-15(19)17(13)14)9-11-5-2-1-3-6-11/h1-8,10,18H,9H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221756
PNG
(2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-...)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)n2ccccc2n1
Show InChI InChI=1S/C16H14N2O3/c1-20-13-7-6-11(9-14(13)21-2)12-10-16(19)18-8-4-3-5-15(18)17-12/h3-10H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221753
PNG
(2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one | CHEMBL2...)
Show SMILES O=c1cc(nc2ccccn12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-10-12(11-6-2-1-3-7-11)15-13-8-4-5-9-16(13)14/h1-10H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221766
PNG
(9-hydroxy-2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one...)
Show SMILES Oc1cccn2c1nc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C14H10N2O2/c17-12-7-4-8-16-13(18)9-11(15-14(12)16)10-5-2-1-3-6-10/h1-9,17H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221759
PNG
(2-(4-hydroxybenzyl)-6-hydroxy-4H-pyrido[1,2-a]pyri...)
Show SMILES Oc1ccc(Cc2cc(=O)n3c(O)cccc3n2)cc1
Show InChI InChI=1S/C15H12N2O3/c18-12-6-4-10(5-7-12)8-11-9-15(20)17-13(16-11)2-1-3-14(17)19/h1-7,9,18-19H,8H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221760
PNG
(2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-on...)
Show SMILES COc1ccc(cc1)-c1cc(=O)n2ccccc2n1
Show InChI InChI=1S/C15H12N2O2/c1-19-12-7-5-11(6-8-12)13-10-15(18)17-9-3-2-4-14(17)16-13/h2-10H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221747
PNG
(6-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyri...)
Show SMILES COc1ccc(cc1)-c1cc(=O)n2c(O)cccc2n1
Show InChI InChI=1S/C15H12N2O3/c1-20-11-7-5-10(6-8-11)12-9-15(19)17-13(16-12)3-2-4-14(17)18/h2-9,18H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221761
PNG
(9-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyri...)
Show SMILES COc1ccc(cc1)-c1cc(=O)n2cccc(O)c2n1
Show InChI InChI=1S/C15H12N2O3/c1-20-11-6-4-10(5-7-11)12-9-14(19)17-8-2-3-13(18)15(17)16-12/h2-9,18H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221751
PNG
(2-(3,4-dihydroxyphenyl)-6-hydroxy-4H-pyrido[1,2-a]...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)n2c(O)cccc2n1
Show InChI InChI=1S/C14H10N2O4/c17-10-5-4-8(6-11(10)18)9-7-14(20)16-12(15-9)2-1-3-13(16)19/h1-7,17-19H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221757
PNG
(2-(3,4-dihydroxyphenyl)-9-hydroxy-4H-pyrido[1,2-a]...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)n2cccc(O)c2n1
Show InChI InChI=1S/C14H10N2O4/c17-10-4-3-8(6-12(10)19)9-7-13(20)16-5-1-2-11(18)14(16)15-9/h1-7,17-19H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221762
PNG
(6-hydroxy-2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one...)
Show SMILES Oc1cccc2nc(cc(=O)n12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O2/c17-13-8-4-7-12-15-11(9-14(18)16(12)13)10-5-2-1-3-6-10/h1-9,17H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221763
PNG
(9-hydroxy-2-(4-hydroxyphenyl)-4H-pyrido[1,2-a]pyri...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)n2cccc(O)c2n1
Show InChI InChI=1S/C14H10N2O3/c17-10-5-3-9(4-6-10)11-8-13(19)16-7-1-2-12(18)14(16)15-11/h1-8,17-18H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221764
PNG
(2-(3,4-dimethoxyphenyl)-9-hydroxy-4H-pyrido[1,2-a]...)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)n2cccc(O)c2n1
Show InChI InChI=1S/C16H14N2O4/c1-21-13-6-5-10(8-14(13)22-2)11-9-15(20)18-7-3-4-12(19)16(18)17-11/h3-9,19H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221749
PNG
(2-(3,4-dihydroxyphenyl)-4H-pyrido[1,2-a]pyrimidin-...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)n2ccccc2n1
Show InChI InChI=1S/C14H10N2O3/c17-11-5-4-9(7-12(11)18)10-8-14(19)16-6-2-1-3-13(16)15-10/h1-8,17-18H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221754
PNG
(2-(4-methoxybenzyl)-6-hydroxy-4H-pyrido[1,2-a]pyri...)
Show SMILES COc1ccc(Cc2cc(=O)n3c(O)cccc3n2)cc1
Show InChI InChI=1S/C16H14N2O3/c1-21-13-7-5-11(6-8-13)9-12-10-16(20)18-14(17-12)3-2-4-15(18)19/h2-8,10,19H,9H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221755
PNG
(2-(4-hydroxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-on...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)n2ccccc2n1
Show InChI InChI=1S/C14H10N2O2/c17-11-6-4-10(5-7-11)12-9-14(18)16-8-2-1-3-13(16)15-12/h1-9,17H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221765
PNG
(2-(3,4-dimethoxybenzyl)-6-hydroxy-4H-pyrido[1,2-a]...)
Show SMILES COc1ccc(Cc2cc(=O)n3c(O)cccc3n2)cc1OC
Show InChI InChI=1S/C17H16N2O4/c1-22-13-7-6-11(9-14(13)23-2)8-12-10-17(21)19-15(18-12)4-3-5-16(19)20/h3-7,9-10,20H,8H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221752
PNG
(6-hydroxy-2-(4-hydroxyphenyl)-4H-pyrido[1,2-a]pyri...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)n2c(O)cccc2n1
Show InChI InChI=1S/C14H10N2O3/c17-10-6-4-9(5-7-10)11-8-14(19)16-12(15-11)2-1-3-13(16)18/h1-8,17-18H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221750
PNG
(2-(3,4-dihydroxybenzyl)-6-hydroxy-4H-pyrido[1,2-a]...)
Show SMILES Oc1ccc(Cc2cc(=O)n3c(O)cccc3n2)cc1O
Show InChI InChI=1S/C15H12N2O4/c18-11-5-4-9(7-12(11)19)6-10-8-15(21)17-13(16-10)2-1-3-14(17)20/h1-5,7-8,18-20H,6H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)		BDBM50221748
PNG
(2-(3,4-dimethoxyphenyl)-6-hydroxy-4H-pyrido[1,2-a]...)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)n2c(O)cccc2n1
Show InChI InChI=1S/C16H14N2O4/c1-21-12-7-6-10(8-13(12)22-2)11-9-16(20)18-14(17-11)4-3-5-15(18)19/h3-9,19H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in Sprague-Dawley Albino rat kidney

J Med Chem 50: 4917-27 (2007)


Article DOI: 10.1021/jm070398a
BindingDB Entry DOI: 10.7270/Q2TM79TD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%