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Compile Data Set for Download or QSAR

Found 130 hits from Auburn University   
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
Adenosylhomocysteinase 2


(Homo sapiens)
BDBM50140074
PNG
(CHEMBL2059155)
Show SMILES Nc1ncc(Br)c2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H13BrN4O3/c13-6-2-15-12(14)8-9(6)17(4-16-8)7-1-5(3-18)10(19)11(7)20/h1-2,4,7,10-11,18-20H,3H2,(H2,14,15)/t7-,10-,11+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of S-adenosylhomocysteine hydrolase (unknown origin)


Bioorg Med Chem Lett 26: 928-30 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.061
BindingDB Entry DOI: 10.7270/Q2R49SMT
More data for this
Ligand-Target Pair
Adenosylhomocysteinase 2


(Homo sapiens)
BDBM50140075
PNG
(CHEMBL3753637)
Show SMILES Nc1nccc2n(cnc12)C1=C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5-6,10-11,17-19H,4H2,(H2,13,14)/t6-,10-,11+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of S-adenosylhomocysteine hydrolase (unknown origin)


Bioorg Med Chem Lett 26: 928-30 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.061
BindingDB Entry DOI: 10.7270/Q2R49SMT
More data for this
Ligand-Target Pair
Adenosylhomocysteinase 2


(Homo sapiens)
BDBM50140077
PNG
(CHEMBL3753746)
Show SMILES Nc1ncc(Br)c2n(cnc12)C1=C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H13BrN4O3/c13-6-2-15-12(14)8-9(6)17(4-16-8)7-1-5(3-18)10(19)11(7)20/h1-2,4-5,10-11,18-20H,3H2,(H2,14,15)/t5-,10-,11+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of S-adenosylhomocysteine hydrolase (unknown origin)


Bioorg Med Chem Lett 26: 928-30 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.061
BindingDB Entry DOI: 10.7270/Q2R49SMT
More data for this
Ligand-Target Pair
Aldose 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 70n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of Aldose reductase in rat lens assay.


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Rattus norvegicus)
BDBM50016618
PNG
(CHEMBL8370 | [(3-Nitro-benzoyl)-(4-nitro-phenyl)-a...)
Show SMILES OC(=O)CN(C(=O)c1cccc(c1)[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O7/c19-14(20)9-16(11-4-6-12(7-5-11)17(22)23)15(21)10-2-1-3-13(8-10)18(24)25/h1-8H,9H2,(H,19,20)
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n/an/a 130n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 0.02 -0.64


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
Aldose 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 180n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose 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 190n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose 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 230n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 0.07 - 1.2


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Rattus norvegicus)
BDBM50010002
PNG
(CHEMBL302057 | [(4-Benzoylamino-benzoyl)-phenyl-am...)
Show SMILES OC(=O)CN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O4/c25-20(26)15-24(19-9-5-2-6-10-19)22(28)17-11-13-18(14-12-17)23-21(27)16-7-3-1-4-8-16/h1-14H,15H2,(H,23,27)(H,25,26)
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n/an/a 240n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016553
PNG
(CHEMBL36108 | [(4-Benzoylamino-benzenesulfonyl)-ph...)
Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C21H18N2O5S/c24-20(25)15-23(18-9-5-2-6-10-18)29(27,28)19-13-11-17(12-14-19)22-21(26)16-7-3-1-4-8-16/h1-14H,15H2,(H,22,26)(H,24,25)
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n/an/a 380n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016557
PNG
((Naphthalene-2-sulfonylamino)-acetic acid | CHEMBL...)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C12H11NO4S/c14-12(15)8-13-18(16,17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,13H,8H2,(H,14,15)
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n/an/a 400n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009985
PNG
(CHEMBL69716 | [(4-Nitro-benzoyl)-phenyl-amino]-ace...)
Show SMILES OC(=O)CN(C(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C15H12N2O5/c18-14(19)10-16(12-4-2-1-3-5-12)15(20)11-6-8-13(9-7-11)17(21)22/h1-9H,10H2,(H,18,19)
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n/an/a 560n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016609
PNG
((2-Oxo-2H-benzo[cd]indol-1-yl)-acetic acid | CHEMB...)
Show SMILES OC(=O)CN1C(=O)c2cccc3cccc1c23
Show InChI InChI=1S/C13H9NO3/c15-11(16)7-14-10-6-2-4-8-3-1-5-9(12(8)10)13(14)17/h1-6H,7H2,(H,15,16)
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n/an/a 670n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 0.15 - 3.3


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016598
PNG
(CHEMBL8786 | [Benzoyl-(3-nitro-phenyl)-amino]-acet...)
Show SMILES OC(=O)CN(C(=O)c1ccccc1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N2O5/c18-14(19)10-16(15(20)11-5-2-1-3-6-11)12-7-4-8-13(9-12)17(21)22/h1-9H,10H2,(H,18,19)
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n/an/a 860n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 0.3 - 2.3


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016550
PNG
((4-Benzoylamino-benzenesulfonylamino)-acetic acid ...)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H14N2O5S/c18-14(19)10-16-23(21,22)13-8-6-12(7-9-13)17-15(20)11-4-2-1-3-5-11/h1-9,16H,10H2,(H,17,20)(H,18,19)
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n/an/a 880n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016604
PNG
(CHEMBL267531 | [Benzoyl-(4-methoxy-phenyl)-amino]-...)
Show SMILES COc1ccc(cc1)N(CC(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C16H15NO4/c1-21-14-9-7-13(8-10-14)17(11-15(18)19)16(20)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,19)
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n/an/a 960n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 0.1 - 7


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016572
PNG
(CHEMBL286389 | [(3-Nitro-benzenesulfonyl)-phenyl-a...)
Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O6S/c17-14(18)10-15(11-5-2-1-3-6-11)23(21,22)13-8-4-7-12(9-13)16(19)20/h1-9H,10H2,(H,17,18)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016549
PNG
(CHEMBL37072 | [(4-Methoxy-benzenesulfonyl)-phenyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C15H15NO5S/c1-21-13-7-9-14(10-8-13)22(19,20)16(11-15(17)18)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50367835
PNG
(CHEMBL1907953)
Show SMILES OC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C18H15NO4S/c20-18(21)17(14-7-2-1-3-8-14)19-24(22,23)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17,19H,(H,20,21)/t17-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009990
PNG
(CHEMBL305251 | [(4-Benzoylamino-benzoyl)-methyl-am...)
Show SMILES CN(CC(O)=O)C(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H16N2O4/c1-19(11-15(20)21)17(23)13-7-9-14(10-8-13)18-16(22)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,22)(H,20,21)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016596
PNG
((Benzoyl-p-tolyl-amino)-acetic acid | CHEMBL275007)
Show SMILES Cc1ccc(cc1)N(CC(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C16H15NO3/c1-12-7-9-14(10-8-12)17(11-15(18)19)16(20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 0.5 - 16


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009983
PNG
(CHEMBL308898 | [(4-Methoxy-benzoyl)-phenyl-amino]-...)
Show SMILES COc1ccc(cc1)C(=O)N(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C16H15NO4/c1-21-14-9-7-12(8-10-14)16(20)17(11-15(18)19)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016591
PNG
(CHEMBL34976 | [(2-Nitro-benzenesulfonyl)-phenyl-am...)
Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O6S/c17-14(18)10-15(11-6-2-1-3-7-11)23(21,22)13-9-5-4-8-12(13)16(19)20/h1-9H,10H2,(H,17,18)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009992
PNG
(CHEMBL69549 | [(4-Methyl-benzoyl)-phenyl-amino]-ac...)
Show SMILES Cc1ccc(cc1)C(=O)N(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C16H15NO3/c1-12-7-9-13(10-8-12)16(20)17(11-15(18)19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,19)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016551
PNG
(CHEMBL37003 | [(4-Nitro-benzenesulfonyl)-phenyl-am...)
Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O6S/c17-14(18)10-15(11-4-2-1-3-5-11)23(21,22)13-8-6-12(7-9-13)16(19)20/h1-9H,10H2,(H,17,18)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016576
PNG
(CHEMBL35870 | [(Naphthalene-2-sulfonyl)-phenyl-ami...)
Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H15NO4S/c20-18(21)13-19(16-8-2-1-3-9-16)24(22,23)17-11-10-14-6-4-5-7-15(14)12-17/h1-12H,13H2,(H,20,21)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016600
PNG
(CHEMBL274433 | [Benzoyl-(4-chloro-phenyl)-amino]-a...)
Show SMILES OC(=O)CN(C(=O)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClNO3/c16-12-6-8-13(9-7-12)17(10-14(18)19)15(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 1.5 - 16


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016582
PNG
(2-(Naphthalene-2-sulfonylamino)-benzoic acid | CHE...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H13NO4S/c19-17(20)15-7-3-4-8-16(15)18-23(21,22)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18H,(H,19,20)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009980
PNG
(CHEMBL266688 | [(Naphthalene-1-carbonyl)-phenyl-am...)
Show SMILES OC(=O)CN(C(=O)c1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C19H15NO3/c21-18(22)13-20(15-9-2-1-3-10-15)19(23)17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,21,22)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 1.0 - 34


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016594
PNG
(CHEMBL8607 | [Acetyl-(4-nitro-phenyl)-amino]-aceti...)
Show SMILES CC(=O)N(CC(O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H10N2O5/c1-7(13)11(6-10(14)15)8-2-4-9(5-3-8)12(16)17/h2-5H,6H2,1H3,(H,14,15)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 0.6 - 47


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009997
PNG
((Benzoyl-phenyl-amino)-acetic acid | CHEMBL273228)
Show SMILES OC(=O)CN(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c17-14(18)11-16(13-9-5-2-6-10-13)15(19)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,18)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009978
PNG
(CHEMBL66711 | [(4-Methoxy-benzoyl)-methyl-amino]-a...)
Show SMILES COc1ccc(cc1)C(=O)N(C)CC(O)=O
Show InChI InChI=1S/C11H13NO4/c1-12(7-10(13)14)11(15)8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,14)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50367829
PNG
(CHEMBL1907951)
Show SMILES OC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C14H12ClNO4S/c15-11-6-8-12(9-7-11)21(19,20)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18)/t13-/m0/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016593
PNG
(CHEMBL37193 | [Benzenesulfonyl-(2-chloro-phenyl)-a...)
Show SMILES OC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H12ClNO4S/c15-12-8-4-5-9-13(12)16(10-14(17)18)21(19,20)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016585
PNG
(2-(4-Amino-benzenesulfonylamino)-benzoic acid | CH...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C13H12N2O4S/c14-9-5-7-10(8-6-9)20(18,19)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,14H2,(H,16,17)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009984
PNG
(CHEMBL66216 | [(4-Fluoro-benzoyl)-phenyl-amino]-ac...)
Show SMILES OC(=O)CN(C(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C15H12FNO3/c16-12-8-6-11(7-9-12)15(20)17(10-14(18)19)13-4-2-1-3-5-13/h1-9H,10H2,(H,18,19)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016571
PNG
(2-(Naphthalene-1-sulfonylamino)-benzoic acid | CHE...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C17H13NO4S/c19-17(20)14-9-3-4-10-15(14)18-23(21,22)16-11-5-7-12-6-1-2-8-13(12)16/h1-11,18H,(H,19,20)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009980
PNG
(CHEMBL266688 | [(Naphthalene-1-carbonyl)-phenyl-am...)
Show SMILES OC(=O)CN(C(=O)c1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C19H15NO3/c21-18(22)13-20(15-9-2-1-3-10-15)19(23)17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,21,22)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50367837
PNG
(CHEMBL1907773)
Show SMILES OC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C14H12N2O6S/c17-14(18)13(10-4-2-1-3-5-10)15-23(21,22)12-8-6-11(7-9-12)16(19)20/h1-9,13,15H,(H,17,18)/t13-/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016556
PNG
(CHEMBL284603 | [Benzenesulfonyl-(3-nitro-phenyl)-a...)
Show SMILES OC(=O)CN(c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H12N2O6S/c17-14(18)10-15(11-5-4-6-12(9-11)16(19)20)23(21,22)13-7-2-1-3-8-13/h1-9H,10H2,(H,17,18)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009988
PNG
(CHEMBL308007 | [(4-Fluoro-benzoyl)-methyl-amino]-a...)
Show SMILES CN(CC(O)=O)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C10H10FNO3/c1-12(6-9(13)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,13,14)
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n/an/a 8.80E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50367827
PNG
(CHEMBL1907772)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C15H15NO4S/c1-11-7-9-13(10-8-11)21(19,20)16-14(15(17)18)12-5-3-2-4-6-12/h2-10,14,16H,1H3,(H,17,18)/t14-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016565
PNG
(CHEMBL290075 | [(4-Amino-benzenesulfonyl)-phenyl-a...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C14H14N2O4S/c15-11-6-8-13(9-7-11)21(19,20)16(10-14(17)18)12-4-2-1-3-5-12/h1-9H,10,15H2,(H,17,18)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009997
PNG
((Benzoyl-phenyl-amino)-acetic acid | CHEMBL273228)
Show SMILES OC(=O)CN(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c17-14(18)11-16(13-9-5-2-6-10-13)15(19)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,18)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 6 - 14


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009996
PNG
((4-Benzoylamino-benzoylamino)-acetic acid | CHEMBL...)
Show SMILES OC(=O)CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H14N2O4/c19-14(20)10-17-15(21)12-6-8-13(9-7-12)18-16(22)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,21)(H,18,22)(H,19,20)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Adenosylhomocysteinase 2


(Homo sapiens)
BDBM50140076
PNG
(CHEMBL3753489)
Show SMILES Nc1nccc2n(cnc12)C1=C[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5-6,10-11,17-19H,4H2,(H2,13,14)/t6-,10-,11+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of S-adenosylhomocysteine hydrolase (unknown origin)


Bioorg Med Chem Lett 26: 928-30 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.061
BindingDB Entry DOI: 10.7270/Q2R49SMT
More data for this
Ligand-Target Pair
Adenosylhomocysteinase 2


(Homo sapiens)
BDBM50140078
PNG
(CHEMBL3754027)
Show SMILES Nc1ncc(Br)c2n(cnc12)C1=C[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C12H13BrN4O3/c13-6-2-15-12(14)8-9(6)17(4-16-8)7-1-5(3-18)10(19)11(7)20/h1-2,4-5,10-11,18-20H,3H2,(H2,14,15)/t5-,10-,11+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of S-adenosylhomocysteine hydrolase (unknown origin)


Bioorg Med Chem Lett 26: 928-30 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.061
BindingDB Entry DOI: 10.7270/Q2R49SMT
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016621
PNG
((6-Oxo-6H-phenanthridin-5-yl)-acetic acid | CHEMBL...)
Show SMILES OC(=O)Cn1c2ccccc2c2ccccc2c1=O
Show InChI InChI=1S/C15H11NO3/c17-14(18)9-16-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15(16)19/h1-8H,9H2,(H,17,18)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 4.9 - 23


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50367838
PNG
(CHEMBL1907776)
Show SMILES OC(=O)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H13NO4S/c16-14(17)13(11-7-3-1-4-8-11)15-20(18,19)12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17)/t13-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


Article DOI: 10.1021/jm00121a027
BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009986
PNG
(CHEMBL67361 | [(4-Amino-benzoyl)-methyl-amino]-ace...)
Show SMILES CN(CC(O)=O)C(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H12N2O3/c1-12(6-9(13)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6,11H2,1H3,(H,13,14)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
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