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Compile Data Set for Download or QSAR

Found 55 hits of ic50 data for polymerid = 50001907   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldehyde reductase


(Rattus norvegicus)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against renal inner medulla aldehyde reductase


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldehyde reductase 1 (ALR1) from rat kidney.


J Med Chem 46: 1419-28 (2003)


Article DOI: 10.1021/jm030762f
BindingDB Entry DOI: 10.7270/Q21G0KN9
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50330615
PNG
(4-Amino-N-(4-bromo-2-fluorobenzyl)-N-(3,5-difluoro...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1F)c1cc(F)c(O)c(F)c1
Show InChI InChI=1S/C19H14BrF3N2O3S/c20-12-2-1-11(16(21)7-12)10-25(14-8-17(22)19(26)18(23)9-14)29(27,28)15-5-3-13(24)4-6-15/h1-9,26H,10,24H2
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n/an/a 323n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50126777
PNG
(CHEMBL33835 | Cyano-[5-fluoro-1-(4-fluoro-benzyl)-...)
Show SMILES OC(=O)C(C#N)C1C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc12
Show InChI InChI=1S/C18H12F2N2O3/c19-11-3-1-10(2-4-11)9-22-15-6-5-12(20)7-13(15)16(17(22)23)14(8-21)18(24)25/h1-7,14,16H,9H2,(H,24,25)
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n/an/a 490n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldehyde reductase 1 (ALR1) from rat kidney.


J Med Chem 46: 1419-28 (2003)


Article DOI: 10.1021/jm030762f
BindingDB Entry DOI: 10.7270/Q21G0KN9
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50126780
PNG
(CHEMBL30993 | Cyano-[5-fluoro-1-(4-methyl-benzyl)-...)
Show SMILES Cc1ccc(CN2C(=O)C(C(C#N)C(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C19H15FN2O3/c1-11-2-4-12(5-3-11)10-22-16-7-6-13(20)8-14(16)17(18(22)23)15(9-21)19(24)25/h2-8,15,17H,10H2,1H3,(H,24,25)
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n/an/a 690n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldehyde reductase 1 (ALR1) from rat kidney.


J Med Chem 46: 1419-28 (2003)


Article DOI: 10.1021/jm030762f
BindingDB Entry DOI: 10.7270/Q21G0KN9
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 1.21E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldehyde reductase 1


J Med Chem 39: 4396-405 (1996)


Article DOI: 10.1021/jm960124f
BindingDB Entry DOI: 10.7270/Q2N58N21
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldehyde reductase


(Rattus norvegicus)
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 1.74E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldehyde reductase 1


J Med Chem 39: 4396-405 (1996)


Article DOI: 10.1021/jm960124f
BindingDB Entry DOI: 10.7270/Q2N58N21
More data for this
Ligand-Target Pair
Aldehyde reductase


(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
In vitro inhibitory activity against aldehyde reductase 1 (ALR1) from rat kidney.


J Med Chem 46: 1419-28 (2003)


Article DOI: 10.1021/jm030762f
BindingDB Entry DOI: 10.7270/Q21G0KN9
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50126791
PNG
(CHEMBL281442 | Cyano-[1-(4-methyl-benzyl)-2-oxo-2,...)
Show SMILES Cc1ccc(CN2C(=O)C(C(C#N)C(O)=O)c3ccccc23)cc1
Show InChI InChI=1S/C19H16N2O3/c1-12-6-8-13(9-7-12)11-21-16-5-3-2-4-14(16)17(18(21)22)15(10-20)19(23)24/h2-9,15,17H,11H2,1H3,(H,23,24)
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n/an/a 3.57E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldehyde reductase 1 (ALR1) from rat kidney.


J Med Chem 46: 1419-28 (2003)


Article DOI: 10.1021/jm030762f
BindingDB Entry DOI: 10.7270/Q21G0KN9
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50126774
PNG
(CHEMBL284593 | Cyano-(5-fluoro-2-oxo-2,3-dihydro-1...)
Show SMILES OC(=O)C(C#N)C1C(=O)Nc2ccc(F)cc12
Show InChI InChI=1S/C11H7FN2O3/c12-5-1-2-8-6(3-5)9(10(15)14-8)7(4-13)11(16)17/h1-3,7,9H,(H,14,15)(H,16,17)
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n/an/a 6.79E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldehyde reductase 1 (ALR1) from rat kidney.


J Med Chem 46: 1419-28 (2003)


Article DOI: 10.1021/jm030762f
BindingDB Entry DOI: 10.7270/Q21G0KN9
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50330610
PNG
(CHEMBL1277203 | N-(4-(N-(3,5-Difluoro-4-hydroxyphe...)
Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1F
Show InChI InChI=1S/C19H14F2N2O4S/c20-16-10-14(11-17(21)18(16)24)23-28(26,27)15-8-6-13(7-9-15)22-19(25)12-4-2-1-3-5-12/h1-11,23-24H,(H,22,25)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50330616
PNG
(CHEMBL1277477 | N-(3,5-Difluoro-4-hydroxyphenyl)-N...)
Show SMILES Oc1c(F)cc(cc1F)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H13F2NO5S2/c19-16-11-13(12-17(20)18(16)22)21(27(23,24)14-7-3-1-4-8-14)28(25,26)15-9-5-2-6-10-15/h1-12,22H
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n/an/a 9.70E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50251025
PNG
(4-Amino-N-(3,5-difluoro-4-hydroxyphenyl)benzenesul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1
Show InChI InChI=1S/C12H10F2N2O3S/c13-10-5-8(6-11(14)12(10)17)16-20(18,19)9-3-1-7(15)2-4-9/h1-6,16-17H,15H2
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n/an/a 1.03E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50330613
PNG
(CHEMBL1277386 | N-(4-Bromo-2-fluorobenzyl)-N-(3,5-...)
Show SMILES Oc1c(F)cc(cc1F)N(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H13BrF3NO3S/c20-13-7-6-12(16(21)8-13)11-24(14-9-17(22)19(25)18(23)10-14)28(26,27)15-4-2-1-3-5-15/h1-10,25H,11H2
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n/an/a 1.19E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50330611
PNG
(CHEMBL1277297 | N-(4-(N-(3,5-Difluoro-4-hydroxyphe...)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1
Show InChI InChI=1S/C20H16F2N2O5S/c1-29-15-6-2-12(3-7-15)20(26)23-13-4-8-16(9-5-13)30(27,28)24-14-10-17(21)19(25)18(22)11-14/h2-11,24-25H,1H3,(H,23,26)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against whole kidney aldehyde reductase


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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n/an/a 1.50E+4n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50330614
PNG
(CHEMBL1277387 | N-(4-Bromo-2-fluorobenzyl)-N-(3,5-...)
Show SMILES Oc1c(F)cc(cc1F)N(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H12BrF3N2O5S/c20-12-2-1-11(16(21)7-12)10-24(14-8-17(22)19(26)18(23)9-14)31(29,30)15-5-3-13(4-6-15)25(27)28/h1-9,26H,10H2
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n/an/a 1.54E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50251023
PNG
(CHEMBL458568 | N-(3,5-Difluoro-4-hydroxyphenyl)ben...)
Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccccc2)cc1F
Show InChI InChI=1S/C12H9F2NO3S/c13-10-6-8(7-11(14)12(10)16)15-19(17,18)9-4-2-1-3-5-9/h1-7,15-16H
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n/an/a 1.96E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50251030
PNG
(CHEMBL458588 | N-(3,5-Difluoro-4-hydroxyphenyl)-4-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1
Show InChI InChI=1S/C13H11F2NO4S/c1-20-9-2-4-10(5-3-9)21(18,19)16-8-6-11(14)13(17)12(15)7-8/h2-7,16-17H,1H3
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n/an/a 2.38E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50330612
PNG
(CHEMBL1277298 | N-(3,5-Difluoro-4-hydroxyphenyl)-4...)
Show SMILES CCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1
Show InChI InChI=1S/C15H15F2N3O4S/c1-2-18-15(22)19-9-3-5-11(6-4-9)25(23,24)20-10-7-12(16)14(21)13(17)8-10/h3-8,20-21H,2H2,1H3,(H2,18,19,22)
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n/an/a 2.55E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056532
PNG
(CHEMBL434076 | [3-(3-Nitro-benzyl)-4,5-dioxo-2-thi...)
Show SMILES OC(=O)CN1C(=S)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O
Show InChI InChI=1S/C12H9N3O6S/c16-9(17)6-14-11(19)10(18)13(12(14)22)5-7-2-1-3-8(4-7)15(20)21/h1-4H,5-6H2,(H,16,17)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50009832
PNG
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)
Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
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n/an/a 3.54E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against rat lens aldose reductase in the presence of 1 uM compound with DL-glyceraldehyde as substrates


J Med Chem 34: 1011-8 (1991)

Checked by Author
Article DOI: 10.1021/jm00107a020
BindingDB Entry DOI: 10.7270/Q2NK3FMZ
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
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 5.01E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of rat kidney aldehyde reductase at 0.1 mM after 20 mins by spectrometric analysis


Bioorg Med Chem 18: 2107-14 (2010)


Article DOI: 10.1016/j.bmc.2010.02.010
BindingDB Entry DOI: 10.7270/Q27W6C9M
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
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 5.61E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056525
PNG
(CHEMBL433898 | [4-Methylene-3-(3-nitro-benzyl)-2,5...)
Show SMILES OC(=O)CN1C(=O)N(Cc2cccc(c2)[N+]([O-])=O)C(=C)C1=O
Show InChI InChI=1S/C13H11N3O6/c1-8-12(19)15(7-11(17)18)13(20)14(8)6-9-3-2-4-10(5-9)16(21)22/h2-5H,1,6-7H2,(H,17,18)
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n/an/a 5.80E+4n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056540
PNG
(CHEMBL159413 | [3-(5-Chloro-benzothiazol-2-ylmethy...)
Show SMILES OC(=O)CN1C(=O)N(Cc2nc3cc(Cl)ccc3s2)C(=O)C1=O
Show InChI InChI=1S/C13H8ClN3O5S/c14-6-1-2-8-7(3-6)15-9(23-8)4-16-11(20)12(21)17(13(16)22)5-10(18)19/h1-3H,4-5H2,(H,18,19)
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n/an/a 5.80E+4n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056531
PNG
(CHEMBL161043 | [3-(4-Chloro-benzothiazol-2-ylmethy...)
Show SMILES OC(=O)CN1C(=O)N(Cc2nc3c(Cl)cccc3s2)C(=O)C1=O
Show InChI InChI=1S/C13H8ClN3O5S/c14-6-2-1-3-7-10(6)15-8(23-7)4-16-11(20)12(21)17(13(16)22)5-9(18)19/h1-3H,4-5H2,(H,18,19)
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n/an/a 7.20E+4n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50054328
PNG
(4-(3-Oxo-5,6-dihydro-3H-benzo[h]cinnolin-2-yl)-but...)
Show SMILES OC(=O)CCCn1nc-2c(CCc3ccccc-23)cc1=O
Show InChI InChI=1S/C16H16N2O3/c19-14-10-12-8-7-11-4-1-2-5-13(11)16(12)17-18(14)9-3-6-15(20)21/h1-2,4-5,10H,3,6-9H2,(H,20,21)
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n/an/a 9.26E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldehyde reductase 1


J Med Chem 39: 4396-405 (1996)


Article DOI: 10.1021/jm960124f
BindingDB Entry DOI: 10.7270/Q2N58N21
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056529
PNG
(CHEMBL159877 | [3-(3-Nitro-benzyl)-2,4-dioxo-imida...)
Show SMILES OC(=O)Cn1cc(O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C12H11N3O6/c16-10-6-13(7-11(17)18)12(19)14(10)5-8-2-1-3-9(4-8)15(20)21/h1-4,6,16H,5,7H2,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056530
PNG
(CHEMBL161235 | [3-(3-Nitro-benzyl)-2,6-dioxo-3,6-d...)
Show SMILES OC(=O)Cn1c(=O)ccn(Cc2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C13H11N3O6/c17-11-4-5-14(13(20)15(11)8-12(18)19)7-9-2-1-3-10(6-9)16(21)22/h1-6H,7-8H2,(H,18,19)
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Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056527
PNG
(CHEMBL161556 | [3-(4-Chloro-3-nitro-benzyl)-2,4-di...)
Show SMILES OC(=O)Cn1ccc(=O)n(Cc2ccc(Cl)c(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C13H10ClN3O6/c14-9-2-1-8(5-10(9)17(22)23)6-16-11(18)3-4-15(13(16)21)7-12(19)20/h1-5H,6-7H2,(H,19,20)
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Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50049729
PNG
(CHEMBL292887 | [3-(3-Nitro-benzyl)-2,4,5-trioxo-im...)
Show SMILES OC(=O)CN1C(=O)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O
Show InChI InChI=1S/C12H9N3O7/c16-9(17)6-14-11(19)10(18)13(12(14)20)5-7-2-1-3-8(4-7)15(21)22/h1-4H,5-6H2,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat kidney aldehyde reductase (ALR)


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056533
PNG
(CHEMBL349508 | [3-(4-Chloro-3-nitro-benzyl)-2,4-di...)
Show SMILES OC(=O)Cn1cc(O)n(Cc2ccc(Cl)c(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C12H10ClN3O6/c13-8-2-1-7(3-9(8)16(21)22)4-15-10(17)5-14(12(15)20)6-11(18)19/h1-3,5,17H,4,6H2,(H,18,19)
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Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056534
PNG
(CHEMBL162697 | [3-(4-Chloro-benzothiazol-2-ylmethy...)
Show SMILES OC(=O)Cn1ccc(=O)n(Cc2nc3c(Cl)cccc3s2)c1=O
Show InChI InChI=1S/C14H10ClN3O4S/c15-8-2-1-3-9-13(8)16-10(23-9)6-18-11(19)4-5-17(14(18)22)7-12(20)21/h1-5H,6-7H2,(H,20,21)
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Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056528
PNG
(CHEMBL160151 | CHEMBL351564 | [4-Hydroxy-3-(3-nitr...)
Show SMILES OC(=O)Cn1c(O)c(O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C12H11N3O7/c16-9(17)6-14-11(19)10(18)13(12(14)20)5-7-2-1-3-8(4-7)15(21)22/h1-4,18-19H,5-6H2,(H,16,17)
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Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056535
PNG
(CHEMBL355148 | [3-(4-Chloro-3-nitro-benzyl)-2,4,5-...)
Show SMILES OC(=O)CN1C(=O)N(Cc2ccc(Cl)c(c2)[N+]([O-])=O)C(=O)C1=O
Show InChI InChI=1S/C12H8ClN3O7/c13-7-2-1-6(3-8(7)16(22)23)4-14-10(19)11(20)15(12(14)21)5-9(17)18/h1-3H,4-5H2,(H,17,18)
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Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056539
PNG
(CHEMBL159384 | [3-(4-Chloro-benzothiazol-2-ylmethy...)
Show SMILES OC(=O)Cn1cc(O)n(Cc2nc3c(Cl)cccc3s2)c1=O
Show InChI InChI=1S/C13H10ClN3O4S/c14-7-2-1-3-8-12(7)15-9(22-8)4-17-10(18)5-16(13(17)21)6-11(19)20/h1-3,5,18H,4,6H2,(H,19,20)
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Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056538
PNG
(CHEMBL159820 | [3-(5-Chloro-benzothiazol-2-ylmethy...)
Show SMILES OC(=O)Cn1ccc(=O)n(Cc2nc3cc(Cl)ccc3s2)c1=O
Show InChI InChI=1S/C14H10ClN3O4S/c15-8-1-2-10-9(5-8)16-11(23-10)6-18-12(19)3-4-17(14(18)22)7-13(20)21/h1-5H,6-7H2,(H,20,21)
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Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056541
PNG
(CHEMBL159288 | [2-Methylene-3-(3-nitro-benzyl)-4,5...)
Show SMILES OC(=O)CN1C(=C)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O
Show InChI InChI=1S/C13H11N3O6/c1-8-14(12(19)13(20)15(8)7-11(17)18)6-9-3-2-4-10(5-9)16(21)22/h2-5H,1,6-7H2,(H,17,18)
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Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056536
PNG
(CHEMBL159750 | [3-(3-Nitro-benzyl)-2,5-dioxo-imida...)
Show SMILES OC(=O)Cn1c(O)cn(Cc2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C12H11N3O6/c16-10-6-13(12(19)14(10)7-11(17)18)5-8-2-1-3-9(4-8)15(20)21/h1-4,6,16H,5,7H2,(H,17,18)
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Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056537
PNG
(CHEMBL159475 | [3-(3-Nitro-benzyl)-2,4,6-trioxo-te...)
Show SMILES OC(=O)Cn1c(=O)cc(O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C13H11N3O7/c17-10-5-11(18)15(7-12(19)20)13(21)14(10)6-8-2-1-3-9(4-8)16(22)23/h1-5,17H,6-7H2,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056526
PNG
(CHEMBL160032 | [3-(3-Nitro-benzyl)-2,4-dioxo-3,4-d...)
Show SMILES OC(=O)Cn1ccc(=O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C13H11N3O6/c17-11-4-5-14(8-12(18)19)13(20)15(11)7-9-2-1-3-10(6-9)16(21)22/h1-6H,7-8H2,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50056528
PNG
(CHEMBL160151 | CHEMBL351564 | [4-Hydroxy-3-(3-nitr...)
Show SMILES OC(=O)Cn1c(O)c(O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C12H11N3O7/c16-9(17)6-14-11(19)10(18)13(12(14)20)5-7-2-1-3-8(4-7)15(21)22/h1-4,18-19H,5-6H2,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50330608
PNG
(CHEMBL1277113 | N-(3,5-Difluoro-4-hydroxyphenyl)-4...)
Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1F
Show InChI InChI=1S/C13H8F5NO3S/c14-10-5-8(6-11(15)12(10)20)19-23(21,22)9-3-1-7(2-4-9)13(16,17)18/h1-6,19-20H
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n/an/a 1.05E+5n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50054324
PNG
((3-Oxo-3,5-dihydro-indeno[1,2-c]pyridazin-2-yl)-ac...)
Show SMILES OC(=O)Cn1nc-2c(Cc3ccccc-23)cc1=O
Show InChI InChI=1S/C13H10N2O3/c16-11-6-9-5-8-3-1-2-4-10(8)13(9)14-15(11)7-12(17)18/h1-4,6H,5,7H2,(H,17,18)
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n/an/a 1.07E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldehyde reductase 1


J Med Chem 39: 4396-405 (1996)


Article DOI: 10.1021/jm960124f
BindingDB Entry DOI: 10.7270/Q2N58N21
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50251024
PNG
(CHEMBL457486 | N-(3,5-Difluoro-4-hydroxyphenyl)-4-...)
Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1F
Show InChI InChI=1S/C12H8F2N2O5S/c13-10-5-7(6-11(14)12(10)17)15-22(20,21)9-3-1-8(2-4-9)16(18)19/h1-6,15,17H
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n/an/a 1.33E+5n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50054316
PNG
(2-Carboxymethyl-3-oxo-3,5-dihydro-2H-indeno[1,2-c]...)
Show SMILES OC(=O)Cn1nc2-c3ccccc3Cc2c(C(O)=O)c1=O
Show InChI InChI=1S/C14H10N2O5/c17-10(18)6-16-13(19)11(14(20)21)9-5-7-3-1-2-4-8(7)12(9)15-16/h1-4H,5-6H2,(H,17,18)(H,20,21)
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n/an/a 1.36E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldehyde reductase 1


J Med Chem 39: 4396-405 (1996)


Article DOI: 10.1021/jm960124f
BindingDB Entry DOI: 10.7270/Q2N58N21
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50054320
PNG
((3-Oxo-5,6-dihydro-3H-benzo[h]cinnolin-2-yl)-aceti...)
Show SMILES OC(=O)Cn1nc-2c(CCc3ccccc-23)cc1=O
Show InChI InChI=1S/C14H12N2O3/c17-12-7-10-6-5-9-3-1-2-4-11(9)14(10)15-16(12)8-13(18)19/h1-4,7H,5-6,8H2,(H,18,19)
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n/an/a 1.56E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldehyde reductase 1


J Med Chem 39: 4396-405 (1996)


Article DOI: 10.1021/jm960124f
BindingDB Entry DOI: 10.7270/Q2N58N21
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50054329
PNG
(2-Carboxymethyl-3-oxo-2,3,5,6-tetrahydro-benzo[h]c...)
Show SMILES OC(=O)Cn1nc-2c(CCc3ccccc-23)c(C(O)=O)c1=O
Show InChI InChI=1S/C15H12N2O5/c18-11(19)7-17-14(20)12(15(21)22)10-6-5-8-3-1-2-4-9(8)13(10)16-17/h1-4H,5-7H2,(H,18,19)(H,21,22)
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n/an/a 1.61E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldehyde reductase 1


J Med Chem 39: 4396-405 (1996)


Article DOI: 10.1021/jm960124f
BindingDB Entry DOI: 10.7270/Q2N58N21
More data for this
Ligand-Target Pair
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