Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'stefek' and Initial = 'm'   

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 B1 (Rattus norvegicus)	BDBM50451729 (CHEMBL4206601) Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(OC)ccc1n2CC(O)=O Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldeh...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50451729 (CHEMBL4206601) Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(OC)ccc1n2CC(O)=O Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human AKR1B1 using D,L-glyceraldehyde as substrate				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) Show SMILES OC(=O)Cn1c2ccccc2c2nnc(S)nc12 Show InChI InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate by double reciprocal plot analysis				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50478795 (CHEMBL476908) Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(CCc4ccccc4)Cc3c2c1 Show InChI InChI=1S/C21H22N2O2/c24-21(25)13-16-6-7-19-17(12-16)18-14-23(11-9-20(18)22-19)10-8-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2,(H,24,25)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase 2 using NADPH as substrate				Bioorg Med Chem 16: 4908-20 (2008) Article DOI: 10.1016/j.bmc.2008.03.039 BindingDB Entry DOI: 10.7270/Q2HQ42PT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50478794 (CHEMBL477942) Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1 Show InChI InChI=1S/C20H20N2O2/c23-20(24)11-15-6-7-18-16(10-15)17-13-22(9-8-19(17)21-18)12-14-4-2-1-3-5-14/h1-7,10,21H,8-9,11-13H2,(H,23,24)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase 2 using NADPH as substrate				Bioorg Med Chem 16: 4908-20 (2008) Article DOI: 10.1016/j.bmc.2008.03.039 BindingDB Entry DOI: 10.7270/Q2HQ42PT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50478795 (CHEMBL476908) Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(CCc4ccccc4)Cc3c2c1 Show InChI InChI=1S/C21H22N2O2/c24-21(25)13-16-6-7-19-17(12-16)18-14-23(11-9-20(18)22-19)10-8-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2,(H,24,25)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase 2 using D,L-glyceraldehyde as substrate				Bioorg Med Chem 16: 4908-20 (2008) Article DOI: 10.1016/j.bmc.2008.03.039 BindingDB Entry DOI: 10.7270/Q2HQ42PT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50478794 (CHEMBL477942) Show SMILES [O-]C(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1 Show InChI InChI=1S/C20H20N2O2/c23-20(24)11-15-6-7-18-16(10-15)17-13-22(9-8-19(17)21-18)12-14-4-2-1-3-5-14/h1-7,10,21H,8-9,11-13H2,(H,23,24)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase 2 using D,L-glyceraldehyde as substrate				Bioorg Med Chem 16: 4908-20 (2008) Article DOI: 10.1016/j.bmc.2008.03.039 BindingDB Entry DOI: 10.7270/Q2HQ42PT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM16469 (2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methy...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12 Show InChI InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase 2				Bioorg Med Chem 16: 4908-20 (2008) Article DOI: 10.1016/j.bmc.2008.03.039 BindingDB Entry DOI: 10.7270/Q2HQ42PT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50451729 (CHEMBL4206601) Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(OC)ccc1n2CC(O)=O Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50451734 (CHEMBL4219003) Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(ccc1n2CC(O)=O)C(O)=O Show InChI InChI=1S/C17H18N2O6/c1-2-25-17(24)18-6-5-14-12(8-18)11-7-10(16(22)23)3-4-13(11)19(14)9-15(20)21/h3-4,7H,2,5-6,8-9H2,1H3,(H,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50451734 (CHEMBL4219003) Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(ccc1n2CC(O)=O)C(O)=O Show InChI InChI=1S/C17H18N2O6/c1-2-25-17(24)18-6-5-14-12(8-18)11-7-10(16(22)23)3-4-13(11)19(14)9-15(20)21/h3-4,7H,2,5-6,8-9H2,1H3,(H,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50451729 (CHEMBL4206601) Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(OC)ccc1n2CC(O)=O Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50435110 (CHEMBL2391535) Show SMILES CC(=O)N1CCc2c(C1)c1ccccc1n2CC(O)=O Show InChI InChI=1S/C15H16N2O3/c1-10(18)16-7-6-14-12(8-16)11-4-2-3-5-13(11)17(14)9-15(19)20/h2-5H,6-9H2,1H3,(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	20	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50435110 (CHEMBL2391535) Show SMILES CC(=O)N1CCc2c(C1)c1ccccc1n2CC(O)=O Show InChI InChI=1S/C15H16N2O3/c1-10(18)16-7-6-14-12(8-16)11-4-2-3-5-13(11)17(14)9-15(19)20/h2-5H,6-9H2,1H3,(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	21	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B1 using D,L-glyceraldehyde as substrate				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) Show SMILES OC(=O)Cn1c2ccccc2c2nnc(S)nc12 Show InChI InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1B1 using D-glucuronate as substrate by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50451731 (CHEMBL4216153) Show SMILES OC(=O)Cn1c2CCN(Cc2c2ccccc12)C(=O)C1CC1 Show InChI InChI=1S/C17H18N2O3/c20-16(21)10-19-14-4-2-1-3-12(14)13-9-18(8-7-15(13)19)17(22)11-5-6-11/h1-4,11H,5-10H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50451731 (CHEMBL4216153) Show SMILES OC(=O)Cn1c2CCN(Cc2c2ccccc12)C(=O)C1CC1 Show InChI InChI=1S/C17H18N2O3/c20-16(21)10-19-14-4-2-1-3-12(14)13-9-18(8-7-15(13)19)17(22)11-5-6-11/h1-4,11H,5-10H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50451729 (CHEMBL4206601) Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(OC)ccc1n2CC(O)=O Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B1 using D,L-glyceraldehyde as substrate				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) Show SMILES OC(=O)Cn1c2ccccc2c2nnc(S)nc12 Show InChI InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) Show SMILES OC(=O)Cn1c2ccccc2c2nnc(S)nc12 Show InChI InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50451735 (CHEMBL4207499) Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H19FN2O3/c25-18-7-8-21-19(12-18)20-13-26(10-9-22(20)27(21)14-23(28)29)24(30)17-6-5-15-3-1-2-4-16(15)11-17/h1-8,11-12H,9-10,13-14H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50451735 (CHEMBL4207499) Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H19FN2O3/c25-18-7-8-21-19(12-18)20-13-26(10-9-22(20)27(21)14-23(28)29)24(30)17-6-5-15-3-1-2-4-16(15)11-17/h1-8,11-12H,9-10,13-14H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50451730 (CHEMBL4207775) Show SMILES CC(=O)c1c(C)n(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C13H13NO3/c1-8-13(9(2)15)10-5-3-4-6-11(10)14(8)7-12(16)17/h3-6H,7H2,1-2H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					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	249	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of aldose reductase in rat lenses				Bioorg Med Chem 16: 3926-32 (2008) Article DOI: 10.1016/j.bmc.2008.01.042 BindingDB Entry DOI: 10.7270/Q2JQ10SH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50080469 (CHEMBL3422332) Show SMILES CCCNC(=O)CSc1nnc2c3cc(C)ccc3n(CC(O)=O)c2n1 Show InChI InChI=1S/C17H19N5O3S/c1-3-6-18-13(23)9-26-17-19-16-15(20-21-17)11-7-10(2)4-5-12(11)22(16)8-14(24)25/h4-5,7H,3,6,8-9H2,1-2H3,(H,18,23)(H,24,25)	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	324	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50080469 (CHEMBL3422332) Show SMILES CCCNC(=O)CSc1nnc2c3cc(C)ccc3n(CC(O)=O)c2n1 Show InChI InChI=1S/C17H19N5O3S/c1-3-6-18-13(23)9-26-17-19-16-15(20-21-17)11-7-10(2)4-5-12(11)22(16)8-14(24)25/h4-5,7H,3,6,8-9H2,1-2H3,(H,18,23)(H,24,25)	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	330	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50451733 (CHEMBL1897400) Show SMILES Cc1c(C=O)c2ccccc2n1CC(O)=O Show InChI InChI=1S/C12H11NO3/c1-8-10(7-14)9-4-2-3-5-11(9)13(8)6-12(15)16/h2-5,7H,6H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50336704 ((1-(3,5-Difluoro-4-hydroxyphenyl)-1H-pyrrol-2-yl)(...) Show SMILES COc1ccc(cc1)C(=O)c1cccn1-c1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C18H13F2NO3/c1-24-13-6-4-11(5-7-13)17(22)16-3-2-8-21(16)12-9-14(19)18(23)15(20)10-12/h2-10,23H,1H3	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
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of rat lens ALR2				Bioorg Med Chem 19: 1426-33 (2011) Article DOI: 10.1016/j.bmc.2011.01.009 BindingDB Entry DOI: 10.7270/Q2KP82FG
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50336708 ((1-(3,5-Difluoro-4-hydroxyphenyl)-1H-pyrrol-3-yl)(...) Show SMILES Oc1c(F)cc(cc1F)-n1ccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C17H11F2NO2/c18-14-8-13(9-15(19)17(14)22)20-7-6-12(10-20)16(21)11-4-2-1-3-5-11/h1-10,22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of rat lens ALR2				Bioorg Med Chem 19: 1426-33 (2011) Article DOI: 10.1016/j.bmc.2011.01.009 BindingDB Entry DOI: 10.7270/Q2KP82FG
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50560035 (CHEMBL4784848) Show SMILES Oc1ccc(cc1F)S(=O)(=O)n1ccc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Fischer 344 rat eye lens ALR2 using D,L-glyceraldehyde as substrate measured up to 4 mins at 30 degC using NaHCO3/DMSO-dissolved compou...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115575 BindingDB Entry DOI: 10.7270/Q2D222B3
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50336705 ((1-(3,5-Difluoro-4-hydroxyphenyl)-1H-pyrrol-2-yl)(...) Show SMILES Oc1c(F)cc(cc1F)-n1cccc1C(=O)c1ccccc1 Show InChI InChI=1S/C17H11F2NO2/c18-13-9-12(10-14(19)17(13)22)20-8-4-7-15(20)16(21)11-5-2-1-3-6-11/h1-10,22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of rat lens ALR2				Bioorg Med Chem 19: 1426-33 (2011) Article DOI: 10.1016/j.bmc.2011.01.009 BindingDB Entry DOI: 10.7270/Q2KP82FG
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50336703 ((1-(3,5-Difluoro-4-hydroxyphenyl)-1H-pyrrol-2-yl)(...) Show SMILES COc1cccc(c1)C(=O)c1cccn1-c1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C18H13F2NO3/c1-24-13-5-2-4-11(8-13)17(22)16-6-3-7-21(16)12-9-14(19)18(23)15(20)10-12/h2-10,23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of rat lens ALR2				Bioorg Med Chem 19: 1426-33 (2011) Article DOI: 10.1016/j.bmc.2011.01.009 BindingDB Entry DOI: 10.7270/Q2KP82FG
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50336702 (CHEMBL1673033 | [1-(2,4-Difluoro-3-hydroxyphenyl)-...) Show SMILES Oc1c(F)ccc(c1F)-n1ccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C17H11F2NO2/c18-13-6-7-14(15(19)17(13)22)20-9-8-12(10-20)16(21)11-4-2-1-3-5-11/h1-10,22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of rat lens ALR2				Bioorg Med Chem 19: 1426-33 (2011) Article DOI: 10.1016/j.bmc.2011.01.009 BindingDB Entry DOI: 10.7270/Q2KP82FG
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50080465 (CHEMBL3422329) Show SMILES CC(C)Sc1nnc2c3ccccc3n(CC(O)=O)c2n1 Show InChI InChI=1S/C14H14N4O2S/c1-8(2)21-14-15-13-12(16-17-14)9-5-3-4-6-10(9)18(13)7-11(19)20/h3-6,8H,7H2,1-2H3,(H,19,20)	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	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50080465 (CHEMBL3422329) Show SMILES CC(C)Sc1nnc2c3ccccc3n(CC(O)=O)c2n1 Show InChI InChI=1S/C14H14N4O2S/c1-8(2)21-14-15-13-12(16-17-14)9-5-3-4-6-10(9)18(13)7-11(19)20/h3-6,8H,7H2,1-2H3,(H,19,20)	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	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50080466 (CHEMBL3422330) Show SMILES OC(=O)Cn1c2ccccc2c2nnc(Sc3ccccc3F)nc12 Show InChI InChI=1S/C17H11FN4O2S/c18-11-6-2-4-8-13(11)25-17-19-16-15(20-21-17)10-5-1-3-7-12(10)22(16)9-14(23)24/h1-8H,9H2,(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	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50080466 (CHEMBL3422330) Show SMILES OC(=O)Cn1c2ccccc2c2nnc(Sc3ccccc3F)nc12 Show InChI InChI=1S/C17H11FN4O2S/c18-11-6-2-4-8-13(11)25-17-19-16-15(20-21-17)10-5-1-3-7-12(10)22(16)9-14(23)24/h1-8H,9H2,(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	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50080471 (CHEMBL1984484) Show SMILES OC(=O)Cn1c2ccccc2c2nc3ccccc3nc12 Show InChI InChI=1S/C16H11N3O2/c20-14(21)9-19-13-8-4-1-5-10(13)15-16(19)18-12-7-3-2-6-11(12)17-15/h1-8H,9H2,(H,20,21)	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	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50080472 (CHEMBL3422326) Show SMILES OC(=O)Cn1c2CCCc2c2ccccc12 Show InChI InChI=1S/C13H13NO2/c15-13(16)8-14-11-6-2-1-4-9(11)10-5-3-7-12(10)14/h1-2,4,6H,3,5,7-8H2,(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	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50080468 (CHEMBL3422331) Show SMILES Cc1cc(C)c(NC(=O)CSc2nnc3c4ccccc4n(CC(O)=O)c3n2)c(C)c1 Show InChI InChI=1S/C22H21N5O3S/c1-12-8-13(2)19(14(3)9-12)23-17(28)11-31-22-24-21-20(25-26-22)15-6-4-5-7-16(15)27(21)10-18(29)30/h4-9H,10-11H2,1-3H3,(H,23,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50080468 (CHEMBL3422331) Show SMILES Cc1cc(C)c(NC(=O)CSc2nnc3c4ccccc4n(CC(O)=O)c3n2)c(C)c1 Show InChI InChI=1S/C22H21N5O3S/c1-12-8-13(2)19(14(3)9-12)23-17(28)11-31-22-24-21-20(25-26-22)15-6-4-5-7-16(15)27(21)10-18(29)30/h4-9H,10-11H2,1-3H3,(H,23,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50560034 (CHEMBL4793830) Show SMILES Oc1ccc(cc1)S(=O)(=O)n1ccc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Fischer 344 rat eye lens ALR2 using D,L-glyceraldehyde as substrate measured up to 4 mins at 30 degC using NaHCO3/DMSO-dissolved compou...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115575 BindingDB Entry DOI: 10.7270/Q2D222B3
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50560034 (CHEMBL4793830) Show SMILES Oc1ccc(cc1)S(=O)(=O)n1ccc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Fischer 344 rat kidney ALR1 using sodium D-glucuronate as substrate measured up to 4 mins at 37 degC using NaHCO3/DMSO-dissolved compou...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115575 BindingDB Entry DOI: 10.7270/Q2D222B3
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50080472 (CHEMBL3422326) Show SMILES OC(=O)Cn1c2CCCc2c2ccccc12 Show InChI InChI=1S/C13H13NO2/c15-13(16)8-14-11-6-2-1-4-9(11)10-5-3-7-12(10)14/h1-2,4,6H,3,5,7-8H2,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair

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