Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'boldrini' and Initial = 'e'   

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 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	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 SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	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	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 SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	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	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 SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	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	PDB 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 Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					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 SMILES OC(=O)C(C#N)C1C(=O)Nc2ccc(F)cc12 Show InChI InChI=1S/C11H7FN2O3/c12-5-1-2-8-6(3-5)9(10(15)14-8)7(4-13)11(16)17/h1-3,7,9H,(H,14,15)(H,16,17)	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)	BDBM50126774 (CHEMBL284593 | Cyano-(5-fluoro-2-oxo-2,3-dihydro-1...) Show SMILES OC(=O)C(C#N)C1C(=O)Nc2ccc(F)cc12 Show InChI InChI=1S/C11H7FN2O3/c12-5-1-2-8-6(3-5)9(10(15)14-8)7(4-13)11(16)17/h1-3,7,9H,(H,14,15)(H,16,17)	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 SMILES CCCN1C(=O)C(C(C#N)C(O)=O)c2cc(F)ccc12 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)	BDBM50107141 ((10-Benzyl-3,4-dioxo-3,4-dihydro-10H-benzo[4,5]imi...) Show SMILES OC(=O)Cn1nc2n(Cc3ccccc3)c3ccccc3n2c(=O)c1=O Show InChI InChI=1S/C18H14N4O4/c23-15(24)11-21-16(25)17(26)22-14-9-5-4-8-13(14)20(18(22)19-21)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					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 SMILES OC(=O)C(C#N)C1C(=O)Nc2ccc(Br)cc12 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 SMILES CN1C(=O)C(C(C#N)C(O)=O)c2cc(F)ccc12 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 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	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)	BDBM16312 ((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	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 B1 (Rattus norvegicus)	BDBM16312 ((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	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 PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 SMILES OC(=O)C(C#N)C1C(=O)Nc2ccccc12 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 SMILES OC(=O)C(C#N)C1C(=O)N(CCCl)c2ccc(F)cc12 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 SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	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)	BDBM50107134 (CHEMBL136855 | [2-(Carboxymethyl-hydrazono)-3-(4-t...) Show SMILES OC(=O)CN\N=c1/n(Cc2ccc(cc2)C(F)(F)F)c2ccccc2n1C(=O)C(O)=O Show InChI InChI=1S/C19H15F3N4O5/c20-19(21,22)12-7-5-11(6-8-12)10-25-13-3-1-2-4-14(13)26(16(29)17(30)31)18(25)24-23-9-15(27)28/h1-8,23H,9-10H2,(H,27,28)(H,30,31)/b24-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					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 SMILES OC(=O)C(C#N)C1C(=O)N(Cc2ccccc2)c2ccccc12 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)	BDBM50107153 (CHEMBL334916 | [10-(4-Chloro-benzyl)-3,4-dioxo-3,4...) Show SMILES OC(=O)Cn1nc2n(Cc3ccc(Cl)cc3)c3ccccc3n2c(=O)c1=O Show InChI InChI=1S/C18H13ClN4O4/c19-12-7-5-11(6-8-12)9-21-13-3-1-2-4-14(13)23-17(27)16(26)22(10-15(24)25)20-18(21)23/h1-8H,9-10H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50107139 (CHEMBL134308 | [10-(3,4-Difluoro-benzyl)-3,4-dioxo...) Show SMILES OC(=O)Cn1nc2n(Cc3ccc(F)c(F)c3)c3ccccc3n2c(=O)c1=O Show InChI InChI=1S/C18H12F2N4O4/c19-11-6-5-10(7-12(11)20)8-22-13-3-1-2-4-14(13)24-17(28)16(27)23(9-15(25)26)21-18(22)24/h1-7H,8-9H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50107135 (CHEMBL136825 | [10-(4-Bromo-2-fluoro-benzyl)-3,4-d...) Show SMILES OC(=O)Cn1nc2n(Cc3ccc(Br)cc3F)c3ccccc3n2c(=O)c1=O Show InChI InChI=1S/C18H12BrFN4O4/c19-11-6-5-10(12(20)7-11)8-22-13-3-1-2-4-14(13)24-17(28)16(27)23(9-15(25)26)21-18(22)24/h1-7H,8-9H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50107158 (CHEMBL136452 | [3-Benzyl-2-(carboxymethyl-hydrazon...) Show SMILES OC(=O)CN\N=c1/n(Cc2ccccc2)c2ccccc2n1C(=O)C(O)=O Show InChI InChI=1S/C18H16N4O5/c23-15(24)10-19-20-18-21(11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)22(18)16(25)17(26)27/h1-9,19H,10-11H2,(H,23,24)(H,26,27)/b20-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50107142 (CHEMBL136723 | [10-(4-Fluoro-benzyl)-3,4-dioxo-3,4...) Show SMILES OC(=O)Cn1nc2n(Cc3ccc(F)cc3)c3ccccc3n2c(=O)c1=O Show InChI InChI=1S/C18H13FN4O4/c19-12-7-5-11(6-8-12)9-21-13-3-1-2-4-14(13)23-17(27)16(26)22(10-15(24)25)20-18(21)23/h1-8H,9-10H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					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 SMILES COc1ccc2NC(=O)C(C(C#N)C(O)=O)c2c1 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 B1 (Rattus norvegicus)	BDBM50107146 ((10-Benzyl-4-oxo-4,10-dihydro-benzo[4,5]imidazo[2,...) Show SMILES OC(=O)Cc1nnc2n(Cc3ccccc3)c3ccccc3n2c1=O Show InChI InChI=1S/C18H14N4O3/c23-16(24)10-13-17(25)22-15-9-5-4-8-14(15)21(18(22)20-19-13)11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					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 SMILES OC(=O)C(C#N)C1C(=O)Nc2ccc(F)cc12 Show InChI InChI=1S/C11H7FN2O3/c12-5-1-2-8-6(3-5)9(10(15)14-8)7(4-13)11(16)17/h1-3,7,9H,(H,14,15)(H,16,17)	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 SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	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	PubMed	n/a	n/a	7.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					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 SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	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 SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	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)	BDBM50107154 (CHEMBL335578 | [2-(Carboxymethyl-hydrazono)-3-(3,4...) Show SMILES OC(=O)CN\N=c1/n(Cc2ccc(F)c(F)c2)c2ccccc2n1C(=O)C(O)=O Show InChI InChI=1S/C18H14F2N4O5/c19-11-6-5-10(7-12(11)20)9-23-13-3-1-2-4-14(13)24(16(27)17(28)29)18(23)22-21-8-15(25)26/h1-7,21H,8-9H2,(H,25,26)(H,28,29)/b22-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50107145 (CHEMBL135144 | [2-(Carboxymethyl-hydrazono)-3-(4-c...) Show SMILES OC(=O)CN\N=c1/n(Cc2ccc(Cl)cc2)c2ccccc2n1C(=O)C(O)=O Show InChI InChI=1S/C18H15ClN4O5/c19-12-7-5-11(6-8-12)10-22-13-3-1-2-4-14(13)23(16(26)17(27)28)18(22)21-20-9-15(24)25/h1-8,20H,9-10H2,(H,24,25)(H,27,28)/b21-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50107155 (CHEMBL136157 | [3-(4-Bromo-2-fluoro-benzyl)-2-(car...) Show SMILES OC(=O)CN\N=c1/n(Cc2ccc(Br)cc2F)c2ccccc2n1C(=O)C(O)=O Show InChI InChI=1S/C18H14BrFN4O5/c19-11-6-5-10(12(20)7-11)9-23-13-3-1-2-4-14(13)24(16(27)17(28)29)18(23)22-21-8-15(25)26/h1-7,21H,8-9H2,(H,25,26)(H,28,29)/b22-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50107150 (CHEMBL136884 | [10-(4-Methyl-benzyl)-3,4-dioxo-3,4...) Show SMILES Cc1ccc(Cn2c3ccccc3n3c2nn(CC(O)=O)c(=O)c3=O)cc1 Show InChI InChI=1S/C19H16N4O4/c1-12-6-8-13(9-7-12)10-21-14-4-2-3-5-15(14)23-18(27)17(26)22(11-16(24)25)20-19(21)23/h2-9H,10-11H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens				J Med Chem 44: 4359-69 (2001) BindingDB Entry DOI: 10.7270/Q21N80FB
					More data for this Ligand-Target Pair

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