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Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50035769   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldo-keto reductase family 1 member B1


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50367835
PNG
(CHEMBL1907953)
Show SMILES OC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 |r|
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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50367829
PNG
(CHEMBL1907951)
Show SMILES OC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 |r|
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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50367837
PNG
(CHEMBL1907773)
Show SMILES OC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |r|
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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50367827
PNG
(CHEMBL1907772)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C(O)=O)c1ccccc1 |r|
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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50367838
PNG
(CHEMBL1907776)
Show SMILES OC(=O)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 |r|
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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016584
PNG
(CHEMBL290611 | [Benzenesulfonyl-(3-chloro-phenyl)-...)
Show SMILES OC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H12ClNO4S/c15-11-5-4-6-12(9-11)16(10-14(17)18)21(19,20)13-7-2-1-3-8-13/h1-9H,10H2,(H,17,18)
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Auburn University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aldose reductase obtained from rat lens


J Med Chem 32: 145-51 (1989)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016554
PNG
((2-Nitro-benzenesulfonylamino)-acetic acid | CHEMB...)
Show SMILES OC(=O)CNS(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C8H8N2O6S/c11-8(12)5-9-17(15,16)7-4-2-1-3-6(7)10(13)14/h1-4,9H,5H2,(H,11,12)
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n/an/a 1.30E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50367832
PNG
(CHEMBL1907775)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C15H15NO5S/c1-21-12-7-9-13(10-8-12)22(19,20)16-14(15(17)18)11-5-3-2-4-6-11/h2-10,14,16H,1H3,(H,17,18)/t14-/m0/s1
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n/an/a 1.30E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016566
PNG
(CHEMBL417691 | [Phenyl-(toluene-4-sulfonyl)-amino]...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C15H15NO4S/c1-12-7-9-14(10-8-12)21(19,20)16(11-15(17)18)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18)
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n/an/a 1.40E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016581
PNG
((4-Amino-benzenesulfonylamino)-acetic acid | 2-(4-...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCC(O)=O
Show InChI InChI=1S/C8H10N2O4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5,9H2,(H,11,12)
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n/an/a 1.60E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016573
PNG
(CHEMBL285934 | [(4-Chloro-benzenesulfonyl)-phenyl-...)
Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClNO4S/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,10H2,(H,17,18)
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n/an/a 1.60E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016558
PNG
(CHEMBL34845 | [Benzenesulfonyl-(4-fluoro-phenyl)-a...)
Show SMILES OC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H12FNO4S/c15-11-6-8-12(9-7-11)16(10-14(17)18)21(19,20)13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18)
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n/an/a 2.20E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50405729
PNG
(CHEMBL2000647)
Show SMILES OC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C14H12FNO4S/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 2.50E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016587
PNG
((Benzenesulfonyl-p-tolyl-amino)-acetic acid | CHEM...)
Show SMILES Cc1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H15NO4S/c1-12-7-9-13(10-8-12)16(11-15(17)18)21(19,20)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,18)
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n/an/a 2.60E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016580
PNG
(CHEMBL37733 | [(4-Fluoro-benzenesulfonyl)-phenyl-a...)
Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C14H12FNO4S/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,10H2,(H,17,18)
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n/an/a 2.60E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016563
PNG
(CHEMBL37941 | [(3-Amino-benzenesulfonyl)-phenyl-am...)
Show SMILES Nc1cccc(c1)S(=O)(=O)N(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C14H14N2O4S/c15-11-5-4-8-13(9-11)21(19,20)16(10-14(17)18)12-6-2-1-3-7-12/h1-9H,10,15H2,(H,17,18)
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n/an/a 2.70E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016590
PNG
((Benzenesulfonyl-m-tolyl-amino)-acetic acid | CHEM...)
Show SMILES Cc1cccc(c1)N(CC(O)=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H15NO4S/c1-12-6-5-7-13(10-12)16(11-15(17)18)21(19,20)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,17,18)
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n/an/a 2.70E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016588
PNG
(CHEMBL287688 | [Benzenesulfonyl-(4-chloro-phenyl)-...)
Show SMILES OC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H12ClNO4S/c15-11-6-8-12(9-7-11)16(10-14(17)18)21(19,20)13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18)
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n/an/a 2.70E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016541
PNG
((3-Amino-benzenesulfonylamino)-acetic acid | CHEMB...)
Show SMILES Nc1cccc(c1)S(=O)(=O)NCC(O)=O
Show InChI InChI=1S/C8H10N2O4S/c9-6-2-1-3-7(4-6)15(13,14)10-5-8(11)12/h1-4,10H,5,9H2,(H,11,12)
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n/an/a 2.90E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016579
PNG
((Benzenesulfonyl-phenyl-amino)-acetic acid | CHEMB...)
Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H13NO4S/c16-14(17)11-15(12-7-3-1-4-8-12)20(18,19)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)
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n/an/a 2.90E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016575
PNG
((4-Methoxy-benzenesulfonylamino)-acetic acid | 2-(...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCC(O)=O
Show InChI InChI=1S/C9H11NO5S/c1-15-7-2-4-8(5-3-7)16(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
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n/an/a 3.10E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016567
PNG
((Toluene-4-sulfonylamino)-acetic acid | CHEMBL2874...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(O)=O
Show InChI InChI=1S/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
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n/an/a 3.20E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50367833
PNG
(CHEMBL1907954)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C15H15NO5S/c1-21-12-7-9-13(10-8-12)22(19,20)16-14(15(17)18)11-5-3-2-4-6-11/h2-10,14,16H,1H3,(H,17,18)/t14-/m1/s1
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n/an/a 3.60E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016562
PNG
((2-Amino-benzenesulfonylamino)-acetic acid | CHEMB...)
Show SMILES Nc1ccccc1S(=O)(=O)NCC(O)=O
Show InChI InChI=1S/C8H10N2O4S/c9-6-3-1-2-4-7(6)15(13,14)10-5-8(11)12/h1-4,10H,5,9H2,(H,11,12)
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n/an/a 3.70E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016548
PNG
(CHEMBL38284 | [Benzenesulfonyl-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H15NO5S/c1-21-13-9-7-12(8-10-13)16(11-15(17)18)22(19,20)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,18)
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n/an/a 3.80E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016569
PNG
((4-Fluoro-benzenesulfonylamino)-acetic acid | CHEM...)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C8H8FNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
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n/an/a 4.30E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016583
PNG
(2-(Phenylsulfonamido)benzoic Acid | 2-Benzenesulfo...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C13H11NO4S/c15-13(16)11-8-4-5-9-12(11)14-19(17,18)10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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n/an/a 6.50E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016560
PNG
(CHEMBL38344 | [(2-Amino-benzenesulfonyl)-phenyl-am...)
Show SMILES Nc1ccccc1S(=O)(=O)N(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C14H14N2O4S/c15-12-8-4-5-9-13(12)21(19,20)16(10-14(17)18)11-6-2-1-3-7-11/h1-9H,10,15H2,(H,17,18)
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n/an/a 6.70E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016589
PNG
(CHEMBL38055 | [(4-Amino-phenyl)-benzenesulfonyl-am...)
Show SMILES Nc1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H14N2O4S/c15-11-6-8-12(9-7-11)16(10-14(17)18)21(19,20)13-4-2-1-3-5-13/h1-9H,10,15H2,(H,17,18)
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n/an/a 6.80E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016552
PNG
(2-(Toluene-4-sulfonylamino)-benzoic acid | CHEMBL3...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C14H13NO4S/c1-10-6-8-11(9-7-10)20(18,19)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
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n/an/a 6.90E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016574
PNG
((4-Nitro-benzenesulfonylamino)-acetic acid | 2-(4-...)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C8H8N2O6S/c11-8(12)5-9-17(15,16)7-3-1-6(2-4-7)10(13)14/h1-4,9H,5H2,(H,11,12)
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n/an/a 7.90E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016577
PNG
(2-(4-Bromo-benzenesulfonylamino)-benzoic acid | CH...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C13H10BrNO4S/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,(H,16,17)
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n/an/a 8.50E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50367836
PNG
(CHEMBL1907952)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(O)=O)c1ccccc1 |r|
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-/m1/s1
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n/an/a 9.00E+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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016561
PNG
(2-(phenylsulfonamido)acetic acid | Benzenesulfonyl...)
Show SMILES OC(=O)CNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C8H9NO4S/c10-8(11)6-9-14(12,13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
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n/an/a 1.30E+5n/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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016568
PNG
((4-Chloro-benzenesulfonylamino)-acetic acid | CHEM...)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C8H8ClNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
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n/an/a 1.30E+5n/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)


BindingDB Entry DOI: 10.7270/Q2GM87WR
More data for this
Ligand-Target Pair
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