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PubMed code 27544072

Compile data set for download or QSAR
Found 29 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 [K65Q]


(Bos taurus (Cattle))		BDBM193852
PNG
((E)-3-(2-(2-(1-(4-bromophenyl)ethylidene)hydraziny...)
Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccc(Br)cc1
Show InChI InChI=1S/C20H14BrN3O2S/c1-12(13-6-8-15(21)9-7-13)23-24-20-22-17(11-27-20)16-10-14-4-2-3-5-18(14)26-19(16)25/h2-11H,1H3,(H,22,24)/b23-12+
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Assay Description
The activity of ALR2 enzyme was determined at 340 nm in UV spectrophotometer that depends upon the measurement of NADPH consumption. Each well of the...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM193848
PNG
(Coumarin-thiazole series I, 6a)
Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccccc1
Show InChI InChI=1S/C20H15N3O2S/c1-13(14-7-3-2-4-8-14)22-23-20-21-17(12-26-20)16-11-15-9-5-6-10-18(15)25-19(16)24/h2-12H,1H3,(H,21,23)/b22-13+
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Assay Description
The activity of ALR2 enzyme was determined at 340 nm in UV spectrophotometer that depends upon the measurement of NADPH consumption. Each well of the...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM193850
PNG
((E)-3-(2-(2-(1-(2-bromophenyl)ethylidene)hydraziny...)
Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccccc1Br
Show InChI InChI=1S/C20H14BrN3O2S/c1-12(14-7-3-4-8-16(14)21)23-24-20-22-17(11-27-20)15-10-13-6-2-5-9-18(13)26-19(15)25/h2-11H,1H3,(H,22,24)/b23-12+
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Assay Description
The activity of ALR2 enzyme was determined at 340 nm in UV spectrophotometer that depends upon the measurement of NADPH consumption. Each well of the...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50012899
PNG
((Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl...)
Show SMILES CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)=O |c:1|
Show InChI InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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Assay Description
The activity of ALR2 enzyme was determined at 340 nm in UV spectrophotometer that depends upon the measurement of NADPH consumption. Each well of the...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM193866
PNG
(3-(4-((2-Chlorophenylamino)methyl)-5-thioxo-4,5-di...)
Show SMILES Clc1ccccc1NCn1nc(oc1=S)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H12ClN3O3S/c19-13-6-2-3-7-14(13)20-10-22-18(26)25-16(21-22)12-9-11-5-1-4-8-15(11)24-17(12)23/h1-9,20H,10H2
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Assay Description
The activity of ALR2 enzyme was determined at 340 nm in UV spectrophotometer that depends upon the measurement of NADPH consumption. Each well of the...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM193869
PNG
(3-(4-(Morpholinomethyl)-5-thioxo-4,5-dihydro-1,3,4...)
Show SMILES O=c1oc2ccccc2cc1-c1nn(CN2CCOCC2)c(=S)o1
Show InChI InChI=1S/C16H15N3O4S/c20-15-12(9-11-3-1-2-4-13(11)22-15)14-17-19(16(24)23-14)10-18-5-7-21-8-6-18/h1-4,9H,5-8,10H2
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Assay Description
The activity of ALR2 enzyme was determined at 340 nm in UV spectrophotometer that depends upon the measurement of NADPH consumption. Each well of the...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193860
PNG
((E)-3-(2-(2-((2-amino-4-chlorophenyl)(phenyl)methy...)
Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccc(Cl)cc1N
Show InChI InChI=1S/C25H17ClN4O2S/c26-17-10-11-18(20(27)13-17)23(15-6-2-1-3-7-15)29-30-25-28-21(14-33-25)19-12-16-8-4-5-9-22(16)32-24(19)31/h1-14H,27H2,(H,28,30)/b29-23+
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Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193856
PNG
((E)-3-(2-(2-(1-(3-fluoro-4-methoxyphenyl)ethyliden...)
Show SMILES COc1ccc(cc1F)C(\C)=N\Nc1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H16FN3O3S/c1-12(13-7-8-19(27-2)16(22)10-13)24-25-21-23-17(11-29-21)15-9-14-5-3-4-6-18(14)28-20(15)26/h3-11H,1-2H3,(H,23,25)/b24-12+
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Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193858
PNG
((E)-3-(2-(2-(1-(4-hydroxy-3-methoxyphenyl)ethylide...)
Show SMILES COc1cc(ccc1O)C(\C)=N\Nc1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H17N3O4S/c1-12(13-7-8-17(25)19(10-13)27-2)23-24-21-22-16(11-29-21)15-9-14-5-3-4-6-18(14)28-20(15)26/h3-11,25H,1-2H3,(H,22,24)/b23-12+
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n/an/a 1.41E+3n/an/an/an/a6.2n/a



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Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193852
PNG
((E)-3-(2-(2-(1-(4-bromophenyl)ethylidene)hydraziny...)
Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccc(Br)cc1
Show InChI InChI=1S/C20H14BrN3O2S/c1-12(13-6-8-15(21)9-7-13)23-24-20-22-17(11-27-20)16-10-14-4-2-3-5-18(14)26-19(16)25/h2-11H,1H3,(H,22,24)/b23-12+
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Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM193858
PNG
((E)-3-(2-(2-(1-(4-hydroxy-3-methoxyphenyl)ethylide...)
Show SMILES COc1cc(ccc1O)C(\C)=N\Nc1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H17N3O4S/c1-12(13-7-8-17(25)19(10-13)27-2)23-24-21-22-16(11-29-21)15-9-14-5-3-4-6-18(14)28-20(15)26/h3-11,25H,1-2H3,(H,22,24)/b23-12+
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Assay Description
The activity of ALR2 enzyme was determined at 340 nm in UV spectrophotometer that depends upon the measurement of NADPH consumption. Each well of the...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193848
PNG
(Coumarin-thiazole series I, 6a)
Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccccc1
Show InChI InChI=1S/C20H15N3O2S/c1-13(14-7-3-2-4-8-14)22-23-20-21-17(12-26-20)16-11-15-9-5-6-10-18(15)25-19(16)24/h2-12H,1H3,(H,21,23)/b22-13+
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Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193864
PNG
(3-(4-((Butylamino)methyl)-5-thioxo-4,5-dihydro-1,3...)
Show SMILES CCCCNCn1nc(oc1=S)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C16H17N3O3S/c1-2-3-8-17-10-19-16(23)22-14(18-19)12-9-11-6-4-5-7-13(11)21-15(12)20/h4-7,9,17H,2-3,8,10H2,1H3
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n/an/a 3.36E+3n/an/an/an/a6.2n/a



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Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM193870
PNG
(3-(4-((Diphenylamino)methyl)-5-thioxo-4,5-dihydro-...)
Show SMILES O=c1oc2ccccc2cc1-c1nn(CN(c2ccccc2)c2ccccc2)c(=S)o1
Show InChI InChI=1S/C24H17N3O3S/c28-23-20(15-17-9-7-8-14-21(17)29-23)22-25-27(24(31)30-22)16-26(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-15H,16H2
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n/an/a 3.39E+3n/an/an/an/an/an/a



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Assay Description
The activity of ALR2 enzyme was determined at 340 nm in UV spectrophotometer that depends upon the measurement of NADPH consumption. Each well of the...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM193868
PNG
(3-(4-((4-Chlorophenylamino)methyl)-5-thioxo-4,5-di...)
Show SMILES Clc1ccc(NCn2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C18H12ClN3O3S/c19-12-5-7-13(8-6-12)20-10-22-18(26)25-16(21-22)14-9-11-3-1-2-4-15(11)24-17(14)23/h1-9,20H,10H2
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n/an/a 3.39E+3n/an/an/an/an/an/a



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Assay Description
The activity of ALR2 enzyme was determined at 340 nm in UV spectrophotometer that depends upon the measurement of NADPH consumption. Each well of the...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193857
PNG
((E)-3-(2-(2-(1-(2-hydroxy-4-methoxyphenyl)ethylide...)
Show SMILES COc1ccc(\C(C)=N\Nc2nc(cs2)-c2cc3ccccc3oc2=O)c(O)c1
Show InChI InChI=1S/C21H17N3O4S/c1-12(15-8-7-14(27-2)10-18(15)25)23-24-21-22-17(11-29-21)16-9-13-5-3-4-6-19(13)28-20(16)26/h3-11,25H,1-2H3,(H,22,24)/b23-12+
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n/an/a 5.47E+3n/an/an/an/a6.2n/a



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Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193868
PNG
(3-(4-((4-Chlorophenylamino)methyl)-5-thioxo-4,5-di...)
Show SMILES Clc1ccc(NCn2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C18H12ClN3O3S/c19-12-5-7-13(8-6-12)20-10-22-18(26)25-16(21-22)14-9-11-3-1-2-4-15(11)24-17(14)23/h1-9,20H,10H2
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Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM193851
PNG
((E)-3-(2-(2-(1-(3-bromophenyl)ethylidene)hydraziny...)
Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1cccc(Br)c1
Show InChI InChI=1S/C20H14BrN3O2S/c1-12(13-6-4-7-15(21)9-13)23-24-20-22-17(11-27-20)16-10-14-5-2-3-8-18(14)26-19(16)25/h2-11H,1H3,(H,22,24)/b23-12+
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n/an/a 6.35E+3n/an/an/an/an/an/a



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Assay Description
The activity of ALR2 enzyme was determined at 340 nm in UV spectrophotometer that depends upon the measurement of NADPH consumption. Each well of the...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193865
PNG
(3-(4-((p-Toluidino)methyl)-5-thioxo-4,5-dihydro-1,...)
Show SMILES Cc1ccc(NCn2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H15N3O3S/c1-12-6-8-14(9-7-12)20-11-22-19(26)25-17(21-22)15-10-13-4-2-3-5-16(13)24-18(15)23/h2-10,20H,11H2,1H3
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n/an/a 7.11E+3n/an/an/an/a6.2n/a



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Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193855
PNG
((E)-3-(2-(2-(1-(4-methoxyphenyl)ethylidene)hydrazi...)
Show SMILES COc1ccc(cc1)C(\C)=N\Nc1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H17N3O3S/c1-13(14-7-9-16(26-2)10-8-14)23-24-21-22-18(12-28-21)17-11-15-5-3-4-6-19(15)27-20(17)25/h3-12H,1-2H3,(H,22,24)/b23-13+
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n/an/a 7.62E+3n/an/an/an/a6.2n/a



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Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193862
PNG
(Coumarin-thiazole series I, 6o)
Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H15N3O4S/c1-13(16-10-14-6-2-4-8-19(14)29-21(16)27)25-26-23-24-18(12-31-23)17-11-15-7-3-5-9-20(15)30-22(17)28/h2-12H,1H3,(H,24,26)/b25-13+
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n/an/a 8.91E+3n/an/an/an/a6.2n/a



COMSATS Institute of Information Technology



Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193859
PNG
((E)-3-(2-(2-(1-(3-iodo-4-methoxyphenyl)ethylidene)...)
Show SMILES COc1ccc(cc1I)C(\C)=N\Nc1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H16IN3O3S/c1-12(13-7-8-19(27-2)16(22)10-13)24-25-21-23-17(11-29-21)15-9-14-5-3-4-6-18(14)28-20(15)26/h3-11H,1-2H3,(H,23,25)/b24-12+
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n/an/a 1.44E+4n/an/an/an/a6.2n/a



COMSATS Institute of Information Technology



Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193867
PNG
(3-(4-((3-Chlorophenylamino)methyl)-5-thioxo-4,5-di...)
Show SMILES Clc1cccc(NCn2nc(oc2=S)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C18H12ClN3O3S/c19-12-5-3-6-13(9-12)20-10-22-18(26)25-16(21-22)14-8-11-4-1-2-7-15(11)24-17(14)23/h1-9,20H,10H2
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n/an/a 1.52E+4n/an/an/an/a6.2n/a



COMSATS Institute of Information Technology



Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193861
PNG
(3-(2-(2-(diphenylmethylene)hydrazinyl)thiazol-4-yl...)
Show SMILES O=c1oc2ccccc2cc1-c1csc(-[#7]\[#7]=[#6](\c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H17N3O2S/c29-24-20(15-19-13-7-8-14-22(19)30-24)21-16-31-25(26-21)28-27-23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H,(H,26,28)
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n/an/a 1.71E+4n/an/an/an/a6.2n/a



COMSATS Institute of Information Technology



Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193850
PNG
((E)-3-(2-(2-(1-(2-bromophenyl)ethylidene)hydraziny...)
Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccccc1Br
Show InChI InChI=1S/C20H14BrN3O2S/c1-12(14-7-3-4-8-16(14)21)23-24-20-22-17(11-27-20)15-10-13-6-2-5-9-18(13)26-19(15)25/h2-11H,1H3,(H,22,24)/b23-12+
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n/an/a 3.47E+4n/an/an/an/a6.2n/a



COMSATS Institute of Information Technology



Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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n/an/a 5.74E+4n/an/an/an/a6.2n/a



COMSATS Institute of Information Technology



Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193853
PNG
((E)-3-(2-(2-(1-(2-fluorophenyl)ethylidene)hydrazin...)
Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccccc1F
Show InChI InChI=1S/C20H14FN3O2S/c1-12(14-7-3-4-8-16(14)21)23-24-20-22-17(11-27-20)15-10-13-6-2-5-9-18(13)26-19(15)25/h2-11H,1H3,(H,22,24)/b23-12+
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n/an/a 5.74E+4n/an/an/an/a6.2n/a



COMSATS Institute of Information Technology



Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM193864
PNG
(3-(4-((Butylamino)methyl)-5-thioxo-4,5-dihydro-1,3...)
Show SMILES CCCCNCn1nc(oc1=S)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C16H17N3O3S/c1-2-3-8-17-10-19-16(23)22-14(18-19)12-9-11-6-4-5-7-13(11)21-15(12)20/h4-7,9,17H,2-3,8,10H2,1H3
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n/an/a 5.75E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology



Assay Description
The activity of ALR2 enzyme was determined at 340 nm in UV spectrophotometer that depends upon the measurement of NADPH consumption. Each well of the...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Bos taurus (Cattle))		BDBM193851
PNG
((E)-3-(2-(2-(1-(3-bromophenyl)ethylidene)hydraziny...)
Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1cccc(Br)c1
Show InChI InChI=1S/C20H14BrN3O2S/c1-12(13-6-4-7-15(21)9-13)23-24-20-22-17(11-27-20)16-10-14-5-2-3-8-18(14)26-19(16)25/h2-11H,1H3,(H,22,24)/b23-12+
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n/an/a 9.36E+4n/an/an/an/a6.2n/a



COMSATS Institute of Information Technology



Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...

Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%