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PubMed code 8893834

Compile data set for download or QSAR
Found 30 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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
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 96n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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)
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
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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
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 3.04E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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)
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50054321
PNG
((7,9-Dimethyl-3-oxo-5,6-dihydro-3H-benzo[h]cinnoli...)
Show SMILES Cc1cc(C)c2CCc3cc(=O)n(CC(O)=O)nc3-c2c1
Show InChI InChI=1S/C16H16N2O3/c1-9-5-10(2)12-4-3-11-7-14(19)18(8-15(20)21)17-16(11)13(12)6-9/h5-7H,3-4,8H2,1-2H3,(H,20,21)
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n/an/a 6.44E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50054326
PNG
(4-(8,9-Dimethoxy-3-oxo-5,6-dihydro-3H-benzo[h]cinn...)
Show SMILES COc1cc2CCc3cc(=O)n(CCCC(O)=O)nc3-c2cc1OC
Show InChI InChI=1S/C18H20N2O5/c1-24-14-8-11-5-6-12-9-16(21)20(7-3-4-17(22)23)19-18(12)13(11)10-15(14)25-2/h8-10H,3-7H2,1-2H3,(H,22,23)
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n/an/a 7.56E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
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 1.03E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aldehyde reductase 2


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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
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 1.14E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50054332
PNG
(3-Oxo-3,5-dihydro-2H-indeno[1,2-c]pyridazine-4-car...)
Show SMILES OC(=O)c1c2Cc3ccccc3-c2n[nH]c1=O
Show InChI InChI=1S/C12H8N2O3/c15-11-9(12(16)17)8-5-6-3-1-2-4-7(6)10(8)13-14-11/h1-4H,5H2,(H,14,15)(H,16,17)
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n/an/a 1.23E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of glutathione reductase


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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
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 1.26E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50054327
PNG
(4-(7,9-Dimethyl-3-oxo-5,6-dihydro-3H-benzo[h]cinno...)
Show SMILES Cc1cc(C)c2CCc3cc(=O)n(CCCC(O)=O)nc3-c2c1
Show InChI InChI=1S/C18H20N2O3/c1-11-8-12(2)14-6-5-13-10-16(21)20(7-3-4-17(22)23)19-18(13)15(14)9-11/h8-10H,3-7H2,1-2H3,(H,22,23)
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n/an/a 1.74E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50054331
PNG
(3-Oxo-2,3,5,6-tetrahydro-benzo[h]cinnoline-4-carbo...)
Show SMILES OC(=O)c1c2CCc3ccccc3-c2n[nH]c1=O
Show InChI InChI=1S/C13H10N2O3/c16-12-10(13(17)18)9-6-5-7-3-1-2-4-8(7)11(9)14-15-12/h1-4H,5-6H2,(H,15,16)(H,17,18)
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n/an/a 1.89E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of glutathione reductase


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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50054317
PNG
((7,8-Dimethoxy-3-oxo-3,5-dihydro-indeno[1,2-c]pyri...)
Show SMILES COc1cc2Cc3cc(=O)n(CC(O)=O)nc3-c2cc1OC
Show InChI InChI=1S/C15H14N2O5/c1-21-11-4-8-3-9-5-13(18)17(7-14(19)20)16-15(9)10(8)6-12(11)22-2/h4-6H,3,7H2,1-2H3,(H,19,20)
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n/an/a 2.64E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
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 3.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
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 3.99E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50054319
PNG
(3-(7,9-Dimethyl-3-oxo-5,6-dihydro-3H-benzo[h]cinno...)
Show SMILES Cc1cc(C)c2CCc3cc(=O)n(CCC(O)=O)nc3-c2c1
Show InChI InChI=1S/C17H18N2O3/c1-10-7-11(2)13-4-3-12-9-15(20)19(6-5-16(21)22)18-17(12)14(13)8-10/h7-9H,3-6H2,1-2H3,(H,21,22)
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n/an/a 5.15E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50054330
PNG
((9-Methyl-3-oxo-4,4a,5,6-tetrahydro-3H-benzo[h]cin...)
Show SMILES Cc1ccc2CCC3CC(=O)N(CC(O)=O)N=C3c2c1
Show InChI InChI=1S/C15H16N2O3/c1-9-2-3-10-4-5-11-7-13(18)17(8-14(19)20)16-15(11)12(10)6-9/h2-3,6,11H,4-5,7-8H2,1H3,(H,19,20)
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n/an/a 6.35E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50054315
PNG
((3-Oxo-3,5,6,7-tetrahydro-benzo[6,7]cyclohepta[1,2...)
Show SMILES OC(=O)Cn1nc-2c(CCCc3ccccc-23)cc1=O
Show InChI InChI=1S/C15H14N2O3/c18-13-8-11-6-3-5-10-4-1-2-7-12(10)15(11)16-17(13)9-14(19)20/h1-2,4,7-8H,3,5-6,9H2,(H,19,20)
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n/an/a 7.62E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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)
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)
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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50054325
PNG
((8,9-Dimethoxy-3-oxo-5,6-dihydro-3H-benzo[h]cinnol...)
Show SMILES COc1cc2CCc3cc(=O)n(CC(O)=O)nc3-c2cc1OC
Show InChI InChI=1S/C16H16N2O5/c1-22-12-5-9-3-4-10-6-14(19)18(8-15(20)21)17-16(10)11(9)7-13(12)23-2/h5-7H,3-4,8H2,1-2H3,(H,20,21)
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n/an/a 1.14E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50054323
PNG
(3-(3-Oxo-5,6-dihydro-3H-benzo[h]cinnolin-2-yl)-pro...)
Show SMILES OC(=O)CCn1nc-2c(CCc3ccccc-23)cc1=O
Show InChI InChI=1S/C15H14N2O3/c18-13-9-11-6-5-10-3-1-2-4-12(10)15(11)16-17(13)8-7-14(19)20/h1-4,9H,5-8H2,(H,19,20)
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n/an/a 1.33E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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)
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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50054318
PNG
(3-(8,9-Dimethoxy-3-oxo-5,6-dihydro-3H-benzo[h]cinn...)
Show SMILES COc1cc2CCc3cc(=O)n(CCC(O)=O)nc3-c2cc1OC
Show InChI InChI=1S/C17H18N2O5/c1-23-13-7-10-3-4-11-8-15(20)19(6-5-16(21)22)18-17(11)12(10)9-14(13)24-2/h7-9H,3-6H2,1-2H3,(H,21,22)
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n/an/a 1.62E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Aldose reductase 2


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
Sorbitol dehydrogenase


(Homo sapiens (Human))
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 1.77E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of sorbitol dehydrogenase from sheep liver (40 U/mg of protein)


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
Glutathione reductase (GR)


(Homo sapiens (Human))
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 2.18E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Glutathione reductase


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)
BDBM50054319
PNG
(3-(7,9-Dimethyl-3-oxo-5,6-dihydro-3H-benzo[h]cinno...)
Show SMILES Cc1cc(C)c2CCc3cc(=O)n(CCC(O)=O)nc3-c2c1
Show InChI InChI=1S/C17H18N2O3/c1-10-7-11(2)13-4-3-12-9-15(20)19(6-5-16(21)22)18-17(12)14(13)8-10/h7-9H,3-6H2,1-2H3,(H,21,22)
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n/an/a 2.89E+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)
BDBM50054321
PNG
((7,9-Dimethyl-3-oxo-5,6-dihydro-3H-benzo[h]cinnoli...)
Show SMILES Cc1cc(C)c2CCc3cc(=O)n(CC(O)=O)nc3-c2c1
Show InChI InChI=1S/C16H16N2O3/c1-9-5-10(2)12-4-3-11-7-14(19)18(8-15(20)21)17-16(11)13(12)6-9/h5-7H,3-4,8H2,1-2H3,(H,20,21)
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n/an/a 2.95E+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
* indicates data uncertainty>20%