Compile Data Set for Download or QSAR

Found 136 hits of ic50 for UniProtKB: P80276   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289610 (CHEMBL44717 | [3-(4,5,7-Trifluoro-benzothiazol-2-y...) Show SMILES OC(=O)Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 Show InChI InChI=1S/C16H10F3NO2S/c17-10-7-11(18)16-15(14(10)19)20-12(23-16)5-8-2-1-3-9(4-8)6-13(21)22/h1-4,7H,5-6H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289614 (CHEMBL288748 | [3-Chloro-5-(4,5,7-trifluoro-benzot...) Show SMILES OC(=O)Cc1cc(Cl)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 Show InChI InChI=1S/C16H9ClF3NO2S/c17-9-2-7(1-8(3-9)5-13(22)23)4-12-21-15-14(20)10(18)6-11(19)16(15)24-12/h1-3,6H,4-5H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289613 (CHEMBL44743 | {Phenyl-[3-(4,5,7-trifluoro-benzothi...) Show SMILES OC(=O)CN(C(=O)CCc1nc2c(F)c(F)cc(F)c2s1)c1ccccc1 Show InChI InChI=1S/C18H13F3N2O3S/c19-11-8-12(20)18-17(16(11)21)22-13(27-18)6-7-14(24)23(9-15(25)26)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289624 (CHEMBL44780 | {Phenyl-[3-(4,5,7-trifluoro-benzothi...) Show SMILES OC(=O)CN(C(=S)CCc1nc2c(F)c(F)cc(F)c2s1)c1ccccc1 Show InChI InChI=1S/C18H13F3N2O2S2/c19-11-8-12(20)18-17(16(11)21)22-13(27-18)6-7-14(26)23(9-15(24)25)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289628 (3-Carboxymethyl-5-(4,5,7-trifluoro-benzothiazol-2-...) Show SMILES OC(=O)Cc1cc(Cc2nc3c(F)c(F)cc(F)c3s2)cc(c1)C(O)=O Show InChI InChI=1S/C17H10F3NO4S/c18-10-6-11(19)16-15(14(10)20)21-12(26-16)4-7-1-8(5-13(22)23)3-9(2-7)17(24)25/h1-3,6H,4-5H2,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289617 (CHEMBL47614 | [3-Fluoro-5-(4,5,7-trifluoro-benzoth...) Show SMILES OC(=O)Cc1cc(F)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 Show InChI InChI=1S/C16H9F4NO2S/c17-9-2-7(1-8(3-9)5-13(22)23)4-12-21-15-14(20)10(18)6-11(19)16(15)24-12/h1-3,6H,4-5H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289616 (CHEMBL45751 | [2-Chloro-3-(4,5,7-trifluoro-benzoth...) Show SMILES OC(=O)Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1Cl Show InChI InChI=1S/C16H9ClF3NO2S/c17-13-7(2-1-3-8(13)5-12(22)23)4-11-21-15-14(20)9(18)6-10(19)16(15)24-11/h1-3,6H,4-5H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289621 (CHEMBL46074 | [3-Bromo-5-(4,5,7-trifluoro-benzothi...) Show SMILES OC(=O)Cc1cc(Br)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 Show InChI InChI=1S/C16H9BrF3NO2S/c17-9-2-7(1-8(3-9)5-13(22)23)4-12-21-15-14(20)10(18)6-11(19)16(15)24-12/h1-3,6H,4-5H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289629 (CHEMBL47646 | [3-Oxo-4-(4,5,7-trifluoro-benzothiaz...) Show SMILES OC(=O)CC1Sc2ccccc2N(Cc2nc3c(F)c(F)cc(F)c3s2)C1=O Show InChI InChI=1S/C18H11F3N2O3S2/c19-8-5-9(20)17-16(15(8)21)22-13(28-17)7-23-10-3-1-2-4-11(10)27-12(18(23)26)6-14(24)25/h1-5,12H,6-7H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289612 (CHEMBL46170 | [3-Methyl-5-(4,5,7-trifluoro-benzoth...) Show SMILES Cc1cc(CC(O)=O)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 Show InChI InChI=1S/C17H12F3NO2S/c1-8-2-9(4-10(3-8)6-14(22)23)5-13-21-16-15(20)11(18)7-12(19)17(16)24-13/h2-4,7H,5-6H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289625 (CHEMBL43995 | {Benzyl-[3-(4,5,7-trifluoro-benzothi...) Show SMILES OC(=O)CN(Cc1ccccc1)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1 Show InChI InChI=1S/C19H15F3N2O3S/c20-12-8-13(21)19-18(17(12)22)23-14(28-19)6-7-15(25)24(10-16(26)27)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289620 (CHEMBL442690 | {Methyl-[3-(4,5,7-trifluoro-benzoth...) Show SMILES CN(CC(O)=O)C(=S)CCc1nc2c(F)c(F)cc(F)c2s1 Show InChI InChI=1S/C13H11F3N2O2S2/c1-18(5-10(19)20)9(21)3-2-8-17-12-11(16)6(14)4-7(15)13(12)22-8/h4H,2-3,5H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289615 (CHEMBL45290 | [3-Iodo-5-(4,5,7-trifluoro-benzothia...) Show SMILES OC(=O)Cc1cc(I)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 Show InChI InChI=1S/C16H9F3INO2S/c17-10-6-11(18)16-15(14(10)19)21-12(24-16)4-7-1-8(5-13(22)23)3-9(20)2-7/h1-3,6H,4-5H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM16496 (2-{3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4...) Show SMILES OC(=O)Cn1c2cc(Cl)ccc2c(=O)n(Cc2ccc(Br)cc2F)c1=O Show InChI InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289619 (CHEMBL542104 | [3-Dimethylamino-5-(4,5,7-trifluoro...) Show SMILES CN(C)c1cc(CC(O)=O)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 Show InChI InChI=1S/C18H15F3N2O2S/c1-23(2)11-4-9(3-10(5-11)7-15(24)25)6-14-22-17-16(21)12(19)8-13(20)18(17)26-14/h3-5,8H,6-7H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289623 (CHEMBL296769 | {Methyl-[3-(4,5,7-trifluoro-benzoth...) Show SMILES CN(CC(O)=O)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1 Show InChI InChI=1S/C13H11F3N2O3S/c1-18(5-10(20)21)9(19)3-2-8-17-12-11(16)6(14)4-7(15)13(12)22-8/h4H,2-3,5H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067407 ((3R)-2'-(4-bromo-2-fluorobenzyl)-1'H,2H,5H-spiro[p...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cccn2[C@@]2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Sus scrofa)	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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289626 (CHEMBL297861 | [2-(4,5,7-Trifluoro-benzothiazol-2-...) Show SMILES OC(=O)Cc1ccccc1Cc1nc2c(F)c(F)cc(F)c2s1 Show InChI InChI=1S/C16H10F3NO2S/c17-10-7-11(18)16-15(14(10)19)20-12(23-16)5-8-3-1-2-4-9(8)6-13(21)22/h1-4,7H,5-6H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50009777 ((ponalrestat)[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,...) Show SMILES OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12 Show InChI InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289611 (CHEMBL45352 | {Phenethyl-[3-(4,5,7-trifluoro-benzo...) Show SMILES OC(=O)CN(CCc1ccccc1)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1 Show InChI InChI=1S/C20H17F3N2O3S/c21-13-10-14(22)20-19(18(13)23)24-15(29-20)6-7-16(26)25(11-17(27)28)9-8-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289622 (CHEMBL44941 | {Benzyl-[3-(4,5,7-trifluoro-benzothi...) Show SMILES OC(=O)CN(Cc1ccccc1)C(=S)CCc1nc2c(F)c(F)cc(F)c2s1 Show InChI InChI=1S/C19H15F3N2O2S2/c20-12-8-13(21)19-18(17(12)22)23-14(28-19)6-7-15(27)24(10-16(25)26)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067390 (2'-(3,4-dichlorobenzyl)spiro[tetrahydro-1H-pyrrole...) Show SMILES Clc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1Cl Show InChI InChI=1S/C17H11Cl2N3O4/c18-10-4-3-9(6-11(10)19)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of aldose reductase from pig lenses				J Med Chem 47: 5076-84 (2004) Article DOI: 10.1021/jm049756p BindingDB Entry DOI: 10.7270/Q2NC620D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067379 (2'-(3-chlorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...) Show SMILES Clc1cccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c1 Show InChI InChI=1S/C17H12ClN3O4/c18-11-4-1-3-10(7-11)9-20-14(23)12-5-2-6-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067401 (2'-(4-bromo-2-fluorobenzyl)-6'-chlorospiro[tetrahy...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccc(Cl)n2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H10BrClFN3O4/c18-9-2-1-8(10(20)5-9)7-22-14(25)11-3-4-12(19)23(11)17(16(22)27)6-13(24)21-15(17)26/h1-5H,6-7H2,(H,21,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067409 (2'-(3-bromobenzyl)spiro[tetrahydro-1H-pyrrole-3,4'...) Show SMILES Brc1cccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c1 Show InChI InChI=1S/C17H12BrN3O4/c18-11-4-1-3-10(7-11)9-20-14(23)12-5-2-6-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067391 (2'-(2-chlorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...) Show SMILES Clc1ccccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H12ClN3O4/c18-11-5-2-1-4-10(11)9-20-14(23)12-6-3-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289618 (CHEMBL296780 | [4-(4,5,7-Trifluoro-benzothiazol-2-...) Show SMILES OC(=O)Cc1ccc(Cc2nc3c(F)c(F)cc(F)c3s2)cc1 Show InChI InChI=1S/C16H10F3NO2S/c17-10-7-11(18)16-15(14(10)19)20-12(23-16)5-8-1-3-9(4-2-8)6-13(21)22/h1-4,7H,5-6H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067396 (2'-(4-chlorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...) Show SMILES Clc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C17H12ClN3O4/c18-11-5-3-10(4-6-11)9-20-14(23)12-2-1-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067400 (6'-bromo-2'-(4-bromo-2-fluorobenzyl)spiro[tetrahyd...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccc(Br)n2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H10Br2FN3O4/c18-9-2-1-8(10(20)5-9)7-22-14(25)11-3-4-12(19)23(11)17(16(22)27)6-13(24)21-15(17)26/h1-5H,6-7H2,(H,21,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067375 (2'-(4-chloro-2-fluorobenzyl)spiro[tetrahydro-1H-py...) Show SMILES Fc1cc(Cl)ccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H11ClFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067376 (2'-(4-bromo-2-fluorobenzyl)spiro[tetrahydro-1H-pyr...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067382 (2'-(4-methoxybenzyl)spiro[tetrahydro-1H-pyrrole-3,...) Show SMILES COc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C18H15N3O5/c1-26-12-6-4-11(5-7-12)10-20-15(23)13-3-2-8-21(13)18(17(20)25)9-14(22)19-16(18)24/h2-8H,9-10H2,1H3,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067399 (2'-(4-bromobenzyl)spiro[tetrahydro-1H-pyrrole-3,4'...) Show SMILES Brc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C17H12BrN3O4/c18-11-5-3-10(4-6-11)9-20-14(23)12-2-1-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067402 (2'-(4-bromo-2-fluorobenzyl)-7'-chlorospiro[tetrahy...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cc(Cl)cn2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H10BrClFN3O4/c18-9-2-1-8(11(20)3-9)6-22-14(25)12-4-10(19)7-23(12)17(16(22)27)5-13(24)21-15(17)26/h1-4,7H,5-6H2,(H,21,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50289627 (6-(4,5,7-Trifluoro-benzothiazol-2-yl)-hexanoic aci...) Show SMILES OC(=O)CCCCCc1nc2c(F)c(F)cc(F)c2s1 Show InChI InChI=1S/C13H12F3NO2S/c14-7-6-8(15)13-12(11(7)16)17-9(20-13)4-2-1-3-5-10(18)19/h6H,1-5H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate				Bioorg Med Chem Lett 7: 1677-1682 (1997) Article DOI: 10.1016/S0960-894X(97)00287-4 BindingDB Entry DOI: 10.7270/Q2M61K7T
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067395 (6',7'-dibromo-2'-(4-bromo-2-fluorobenzyl)spiro[tet...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cc(Br)c(Br)n2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H9Br3FN3O4/c18-8-2-1-7(10(21)3-8)6-23-14(26)11-4-9(19)13(20)24(11)17(16(23)28)5-12(25)22-15(17)27/h1-4H,5-6H2,(H,22,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067386 (2'-(4-methylbenzyl)spiro[tetrahydro-1H-pyrrole-3,4...) Show SMILES Cc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C18H15N3O4/c1-11-4-6-12(7-5-11)10-20-15(23)13-3-2-8-21(13)18(17(20)25)9-14(22)19-16(18)24/h2-8H,9-10H2,1H3,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067413 (2'-(2-bromobenzyl)spiro[tetrahydro-1H-pyrrole-3,4'...) Show SMILES Brc1ccccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H12BrN3O4/c18-11-5-2-1-4-10(11)9-20-14(23)12-6-3-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067411 (2'-(2-fluorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...) Show SMILES Fc1ccccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H12FN3O4/c18-11-5-2-1-4-10(11)9-20-14(23)12-6-3-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067387 (2'-(2,4-difluorobenzyl)spiro[tetrahydro-1H-pyrrole...) Show SMILES Fc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c(F)c1 Show InChI InChI=1S/C17H11F2N3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067414 (2'-(4-trifluoromethylbenzyl)spiro[tetrahydro-1H-py...) Show SMILES FC(F)(F)c1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C18H12F3N3O4/c19-18(20,21)11-5-3-10(4-6-11)9-23-14(26)12-2-1-7-24(12)17(16(23)28)8-13(25)22-15(17)27/h1-7H,8-9H2,(H,22,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067394 (2'-benzylspiro[tetrahydro-1H-pyrrole-3,4'-(1',2',3...) Show SMILES O=C1CC2(C(=O)N1)C(=O)N(Cc1ccccc1)C(=O)c1cccn21 Show InChI InChI=1S/C17H13N3O4/c21-13-9-17(15(23)18-13)16(24)19(10-11-5-2-1-3-6-11)14(22)12-7-4-8-20(12)17/h1-8H,9-10H2,(H,18,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067388 (7'-bromo-2'-(4-bromo-2-fluorobenzyl)spiro[tetrahyd...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cc(Br)cn2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H10Br2FN3O4/c18-9-2-1-8(11(20)3-9)6-22-14(25)12-4-10(19)7-23(12)17(16(22)27)5-13(24)21-15(17)26/h1-4,7H,5-6H2,(H,21,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067380 (2'-(4-nitrobenzyl)spiro[tetrahydro-1H-pyrrole-3,4'...) Show SMILES [O-][N+](=O)c1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C17H12N4O6/c22-13-8-17(15(24)18-13)16(25)19(14(23)12-2-1-7-20(12)17)9-10-3-5-11(6-4-10)21(26)27/h1-7H,8-9H2,(H,18,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067381 (2'-(3,4-dimethoxybenzyl)spiro[tetrahydro-1H-pyrrol...) Show SMILES COc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1OC Show InChI InChI=1S/C19H17N3O6/c1-27-13-6-5-11(8-14(13)28-2)10-21-16(24)12-4-3-7-22(12)19(18(21)26)9-15(23)20-17(19)25/h3-8H,9-10H2,1-2H3,(H,20,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067404 (2'-(4-fluorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...) Show SMILES Fc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C17H12FN3O4/c18-11-5-3-10(4-6-11)9-20-14(23)12-2-1-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067398 (CHEMBL133662 | [2-(3,4-Dichloro-benzyl)-1,3-dioxo-...) Show SMILES OC(=O)CC1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn12 Show InChI InChI=1S/C16H12Cl2N2O4/c17-10-4-3-9(6-11(10)18)8-20-15(23)12-2-1-5-19(12)13(16(20)24)7-14(21)22/h1-6,13H,7-8H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair

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