Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50013117 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
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| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM16314
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
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PC cid
PC sid
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| PDB
Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | 
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM16314
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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CHEMBL
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KEGG
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PC sid
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| PDB
Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126780
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126780
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126783
(CHEMBL283172 | Cyano-[5-fluoro-1-(4-methoxy-benzyl...)Show SMILES COc1ccc(CN2C(=O)C(C(C#N)C(O)=O)c3cc(F)ccc23)cc1 Show InChI InChI=1S/C19H15FN2O4/c1-26-13-5-2-11(3-6-13)10-22-16-7-4-12(20)8-14(16)17(18(22)23)15(9-21)19(24)25/h2-8,15,17H,10H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126777
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126777
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126782
((1-Benzyl-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl...)Show SMILES OC(=O)C(C#N)C1C(=O)N(Cc2ccccc2)c2ccc(F)cc12 Show InChI InChI=1S/C18H13FN2O3/c19-12-6-7-15-13(8-12)16(14(9-20)18(23)24)17(22)21(15)10-11-4-2-1-3-5-11/h1-8,14,16H,10H2,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126785
(CHEMBL30655 | [5-Bromo-1-(4-methyl-benzyl)-2-oxo-2...)Show SMILES Cc1ccc(CN2C(=O)C(C(C#N)C(O)=O)c3cc(Br)ccc23)cc1 Show InChI InChI=1S/C19H15BrN2O3/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126774
(CHEMBL284593 | Cyano-(5-fluoro-2-oxo-2,3-dihydro-1...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126773
(CHEMBL284990 | Cyano-(5-fluoro-2-oxo-1-propyl-2,3-...)Show InChI InChI=1S/C14H13FN2O3/c1-2-5-17-11-4-3-8(15)6-9(11)12(13(17)18)10(7-16)14(19)20/h3-4,6,10,12H,2,5H2,1H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126774
(CHEMBL284593 | Cyano-(5-fluoro-2-oxo-2,3-dihydro-1...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126781
(CHEMBL417680 | Cyano-[5-fluoro-2-oxo-1-(4-trifluor...)Show SMILES OC(=O)C(C#N)C1C(=O)N(Cc2ccc(cc2)C(F)(F)F)c2ccc(F)cc12 Show InChI InChI=1S/C19H12F4N2O3/c20-12-5-6-15-13(7-12)16(14(8-24)18(27)28)17(26)25(15)9-10-1-3-11(4-2-10)19(21,22)23/h1-7,14,16H,9H2,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126776
((5-Bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)-cyano-ac...)Show InChI InChI=1S/C11H7BrN2O3/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126778
(CHEMBL34737 | Cyano-(5-fluoro-1-methyl-2-oxo-2,3-d...)Show InChI InChI=1S/C12H9FN2O3/c1-15-9-3-2-6(13)4-7(9)10(11(15)16)8(5-14)12(17)18/h2-4,8,10H,1H3,(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50126777
(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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
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| PDB
Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126787
(CHEMBL33509 | Cyano-[2-oxo-1-(4-trifluoromethyl-be...)Show SMILES OC(=O)C(C#N)C1C(=O)N(Cc2ccc(cc2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C19H13F3N2O3/c20-19(21,22)12-7-5-11(6-8-12)10-24-15-4-2-1-3-13(15)16(17(24)25)14(9-23)18(26)27/h1-8,14,16H,10H2,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126775
(CHEMBL34118 | Cyano-[1-(4-fluoro-benzyl)-2-oxo-2,3...)Show SMILES OC(=O)C(C#N)C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C18H13FN2O3/c19-12-7-5-11(6-8-12)10-21-15-4-2-1-3-13(15)16(17(21)22)14(9-20)18(23)24/h1-8,14,16H,10H2,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126784
(CHEMBL284813 | Cyano-[1-(4-methoxy-benzyl)-2-oxo-2...)Show SMILES COc1ccc(CN2C(=O)C(C(C#N)C(O)=O)c3ccccc23)cc1 Show InChI InChI=1S/C19H16N2O4/c1-25-13-8-6-12(7-9-13)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126791
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126791
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50126780
(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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126789
(CHEMBL33261 | Cyano-(2-oxo-2,3-dihydro-1H-indol-3-...)Show InChI InChI=1S/C11H8N2O3/c12-5-7(11(15)16)9-6-3-1-2-4-8(6)13-10(9)14/h1-4,7,9H,(H,13,14)(H,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126788
(CHEMBL29427 | Cyano-(5-nitro-2-oxo-2,3-dihydro-1H-...)Show SMILES OC(=O)C(C#N)C1C(=O)Nc2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C11H7N3O5/c12-4-7(11(16)17)9-6-3-5(14(18)19)1-2-8(6)13-10(9)15/h1-3,7,9H,(H,13,15)(H,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126779
(CHEMBL286858 | [1-(2-Chloro-ethyl)-5-fluoro-2-oxo-...)Show InChI InChI=1S/C13H10ClFN2O3/c14-3-4-17-10-2-1-7(15)5-8(10)11(12(17)18)9(6-16)13(19)20/h1-2,5,9,11H,3-4H2,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.32E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126786
((1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-cyano-a...)Show InChI InChI=1S/C18H14N2O3/c19-10-14(18(22)23)16-13-8-4-5-9-15(13)20(17(16)21)11-12-6-2-1-3-7-12/h1-9,14,16H,11H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50126791
(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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.57E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50126790
(CHEMBL34119 | Cyano-(5-methoxy-2-oxo-2,3-dihydro-1...)Show InChI InChI=1S/C12H10N2O4/c1-18-6-2-3-9-7(4-6)10(11(15)14-9)8(5-13)12(16)17/h2-4,8,10H,1H3,(H,14,15)(H,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50126774
(CHEMBL284593 | Cyano-(5-fluoro-2-oxo-2,3-dihydro-1...)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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.79E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction. |
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 | |
Sorbitol dehydrogenase
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against sorbitol dehydrogenase (SD) from sheep liver |
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 | |
Glutathione reductase
(Saccharomyces cerevisiae) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against glutathione reductase (GR) from bakers yeast |
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 | |
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