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Found 18 hits Enz. Inhib. hit(s) with Target = 'Aldehyde reductase (ALR1)' AND taxid = 9913   
Target
(Institution)
LigandTarget
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
Aldehyde reductase (ALR1)


(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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n/an/a 459n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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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n/an/a 1.08E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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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n/an/a 1.71E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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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n/an/a 2.94E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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 5.68E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(Bos taurus (Cattle))
BDBM193861
PNG
(3-(2-(2-(diphenylmethylene)hydrazinyl)thiazol-4-yl...)
Show SMILES O=c1oc2ccccc2cc1-c1csc(NN=C(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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair