Compile Data Set for Download or QSAR

Found 55 hits of ic50 data for polymerid = 50001907   

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 A1 (Rattus norvegicus)	BDBM50009832 (1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...) Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity was measured against renal inner medulla aldehyde reductase				J Med Chem 34: 1011-8 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2NK3FMZ
					More data for this Ligand-Target Pair
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 A1 (Rattus norvegicus)	BDBM50330615 (4-Amino-N-(4-bromo-2-fluorobenzyl)-N-(3,5-difluoro...) Show SMILES Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1F)c1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C19H14BrF3N2O3S/c20-12-2-1-11(16(21)7-12)10-25(14-8-17(22)19(26)18(23)9-14)29(27,28)15-5-3-13(24)4-6-15/h1-9,26H,10,24H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Fischer-344 rat kidney AK1A1				J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM
					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 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 A1 (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 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	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of Aldehyde reductase 1				J Med Chem 39: 4396-405 (1996) Article DOI: 10.1021/jm960124f BindingDB Entry DOI: 10.7270/Q2N58N21
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
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	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of Aldehyde reductase 1				J Med Chem 39: 4396-405 (1996) Article DOI: 10.1021/jm960124f BindingDB Entry DOI: 10.7270/Q2N58N21
					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 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 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 A1 (Rattus norvegicus)	BDBM50330610 (CHEMBL1277203 | N-(4-(N-(3,5-Difluoro-4-hydroxyphe...) Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1F Show InChI InChI=1S/C19H14F2N2O4S/c20-16-10-14(11-17(21)18(16)24)23-28(26,27)15-8-6-13(7-9-15)22-19(25)12-4-2-1-3-5-12/h1-11,23-24H,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Fischer-344 rat kidney AK1A1				J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50330616 (CHEMBL1277477 | N-(3,5-Difluoro-4-hydroxyphenyl)-N...) Show SMILES Oc1c(F)cc(cc1F)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H13F2NO5S2/c19-16-11-13(12-17(20)18(16)22)21(27(23,24)14-7-3-1-4-8-14)28(25,26)15-9-5-2-6-10-15/h1-12,22H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Fischer-344 rat kidney AK1A1				J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50251025 (4-Amino-N-(3,5-difluoro-4-hydroxyphenyl)benzenesul...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C12H10F2N2O3S/c13-10-5-8(6-11(14)12(10)17)16-20(18,19)9-3-1-7(15)2-4-9/h1-6,16-17H,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Fischer-344 rat kidney AK1A1				J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50330613 (CHEMBL1277386 | N-(4-Bromo-2-fluorobenzyl)-N-(3,5-...) Show SMILES Oc1c(F)cc(cc1F)N(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H13BrF3NO3S/c20-13-7-6-12(16(21)8-13)11-24(14-9-17(22)19(25)18(23)10-14)28(26,27)15-4-2-1-3-5-15/h1-10,25H,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Fischer-344 rat kidney AK1A1				J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50330611 (CHEMBL1277297 | N-(4-(N-(3,5-Difluoro-4-hydroxyphe...) Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C20H16F2N2O5S/c1-29-15-6-2-12(3-7-15)20(26)23-13-4-8-16(9-5-13)30(27,28)24-14-10-17(21)19(25)18(22)11-14/h2-11,24-25H,1H3,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Fischer-344 rat kidney AK1A1				J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50009832 (1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...) Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity was measured against whole kidney aldehyde reductase				J Med Chem 34: 1011-8 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2NK3FMZ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50330614 (CHEMBL1277387 | N-(4-Bromo-2-fluorobenzyl)-N-(3,5-...) Show SMILES Oc1c(F)cc(cc1F)N(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H12BrF3N2O5S/c20-12-2-1-11(16(21)7-12)10-24(14-8-17(22)19(26)18(23)9-14)31(29,30)15-5-3-13(4-6-15)25(27)28/h1-9,26H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Fischer-344 rat kidney AK1A1				J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50251023 (CHEMBL458568 | N-(3,5-Difluoro-4-hydroxyphenyl)ben...) Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccccc2)cc1F Show InChI InChI=1S/C12H9F2NO3S/c13-10-6-8(7-11(14)12(10)16)15-19(17,18)9-4-2-1-3-5-9/h1-7,15-16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Fischer-344 rat kidney AK1A1				J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50251030 (CHEMBL458588 | N-(3,5-Difluoro-4-hydroxyphenyl)-4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C13H11F2NO4S/c1-20-9-2-4-10(5-3-9)21(18,19)16-8-6-11(14)13(17)12(15)7-8/h2-7,16-17H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Fischer-344 rat kidney AK1A1				J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50330612 (CHEMBL1277298 | N-(3,5-Difluoro-4-hydroxyphenyl)-4...) Show SMILES CCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C15H15F2N3O4S/c1-2-18-15(22)19-9-3-5-11(6-4-9)25(23,24)20-10-7-12(16)14(21)13(17)8-10/h3-8,20-21H,2H2,1H3,(H2,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Fischer-344 rat kidney AK1A1				J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056532 (CHEMBL434076 | [3-(3-Nitro-benzyl)-4,5-dioxo-2-thi...) Show SMILES OC(=O)CN1C(=S)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O Show InChI InChI=1S/C12H9N3O6S/c16-9(17)6-14-11(19)10(18)13(12(14)22)5-7-2-1-3-8(4-7)15(20)21/h1-4H,5-6H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50009832 (1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...) Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity was measured against rat lens aldose reductase in the presence of 1 uM compound with DL-glyceraldehyde as substrates				J Med Chem 34: 1011-8 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2NK3FMZ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50003616 (2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of rat kidney aldehyde reductase at 0.1 mM after 20 mins by spectrometric analysis				Bioorg Med Chem 18: 2107-14 (2010) Article DOI: 10.1016/j.bmc.2010.02.010 BindingDB Entry DOI: 10.7270/Q27W6C9M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50003616 (2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Fischer-344 rat kidney AK1A1				J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056540 (CHEMBL159413 | [3-(5-Chloro-benzothiazol-2-ylmethy...) Show SMILES OC(=O)CN1C(=O)N(Cc2nc3cc(Cl)ccc3s2)C(=O)C1=O Show InChI InChI=1S/C13H8ClN3O5S/c14-6-1-2-8-7(3-6)15-9(23-8)4-16-11(20)12(21)17(13(16)22)5-10(18)19/h1-3H,4-5H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056525 (CHEMBL433898 | [4-Methylene-3-(3-nitro-benzyl)-2,5...) Show SMILES OC(=O)CN1C(=O)N(Cc2cccc(c2)[N+]([O-])=O)C(=C)C1=O Show InChI InChI=1S/C13H11N3O6/c1-8-12(19)15(7-11(17)18)13(20)14(8)6-9-3-2-4-10(5-9)16(21)22/h2-5H,1,6-7H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056531 (CHEMBL161043 | [3-(4-Chloro-benzothiazol-2-ylmethy...) Show SMILES OC(=O)CN1C(=O)N(Cc2nc3c(Cl)cccc3s2)C(=O)C1=O Show InChI InChI=1S/C13H8ClN3O5S/c14-6-2-1-3-7-10(6)15-8(23-7)4-16-11(20)12(21)17(13(16)22)5-9(18)19/h1-3H,4-5H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50054328 (4-(3-Oxo-5,6-dihydro-3H-benzo[h]cinnolin-2-yl)-but...) Show SMILES OC(=O)CCCn1nc-2c(CCc3ccccc-23)cc1=O Show InChI InChI=1S/C16H16N2O3/c19-14-10-12-8-7-11-4-1-2-5-13(11)16(12)17-18(14)9-3-6-15(20)21/h1-2,4-5,10H,3,6-9H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of Aldehyde reductase 1				J Med Chem 39: 4396-405 (1996) Article DOI: 10.1021/jm960124f BindingDB Entry DOI: 10.7270/Q2N58N21
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056529 (CHEMBL159877 | [3-(3-Nitro-benzyl)-2,4-dioxo-imida...) Show SMILES OC(=O)Cn1cc(O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O Show InChI InChI=1S/C12H11N3O6/c16-10-6-13(7-11(17)18)12(19)14(10)5-8-2-1-3-9(4-8)15(20)21/h1-4,6,16H,5,7H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056530 (CHEMBL161235 | [3-(3-Nitro-benzyl)-2,6-dioxo-3,6-d...) Show SMILES OC(=O)Cn1c(=O)ccn(Cc2cccc(c2)[N+]([O-])=O)c1=O Show InChI InChI=1S/C13H11N3O6/c17-11-4-5-14(13(20)15(11)8-12(18)19)7-9-2-1-3-10(6-9)16(21)22/h1-6H,7-8H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056527 (CHEMBL161556 | [3-(4-Chloro-3-nitro-benzyl)-2,4-di...) Show SMILES OC(=O)Cn1ccc(=O)n(Cc2ccc(Cl)c(c2)[N+]([O-])=O)c1=O Show InChI InChI=1S/C13H10ClN3O6/c14-9-2-1-8(5-10(9)17(22)23)6-16-11(18)3-4-15(13(16)21)7-12(19)20/h1-5H,6-7H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50049729 (CHEMBL292887 | [3-(3-Nitro-benzyl)-2,4,5-trioxo-im...) Show SMILES OC(=O)CN1C(=O)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O Show InChI InChI=1S/C12H9N3O7/c16-9(17)6-14-11(19)10(18)13(12(14)20)5-7-2-1-3-8(4-7)15(21)22/h1-4H,5-6H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against rat kidney aldehyde reductase (ALR)				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056533 (CHEMBL349508 | [3-(4-Chloro-3-nitro-benzyl)-2,4-di...) Show SMILES OC(=O)Cn1cc(O)n(Cc2ccc(Cl)c(c2)[N+]([O-])=O)c1=O Show InChI InChI=1S/C12H10ClN3O6/c13-8-2-1-7(3-9(8)16(21)22)4-15-10(17)5-14(12(15)20)6-11(18)19/h1-3,5,17H,4,6H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056534 (CHEMBL162697 | [3-(4-Chloro-benzothiazol-2-ylmethy...) Show SMILES OC(=O)Cn1ccc(=O)n(Cc2nc3c(Cl)cccc3s2)c1=O Show InChI InChI=1S/C14H10ClN3O4S/c15-8-2-1-3-9-13(8)16-10(23-9)6-18-11(19)4-5-17(14(18)22)7-12(20)21/h1-5H,6-7H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056528 (CHEMBL160151 | CHEMBL351564 | [4-Hydroxy-3-(3-nitr...) Show SMILES OC(=O)Cn1c(O)c(O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O Show InChI InChI=1S/C12H11N3O7/c16-9(17)6-14-11(19)10(18)13(12(14)20)5-7-2-1-3-8(4-7)15(21)22/h1-4,18-19H,5-6H2,(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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056535 (CHEMBL355148 | [3-(4-Chloro-3-nitro-benzyl)-2,4,5-...) Show SMILES OC(=O)CN1C(=O)N(Cc2ccc(Cl)c(c2)[N+]([O-])=O)C(=O)C1=O Show InChI InChI=1S/C12H8ClN3O7/c13-7-2-1-6(3-8(7)16(22)23)4-14-10(19)11(20)15(12(14)21)5-9(17)18/h1-3H,4-5H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056539 (CHEMBL159384 | [3-(4-Chloro-benzothiazol-2-ylmethy...) Show SMILES OC(=O)Cn1cc(O)n(Cc2nc3c(Cl)cccc3s2)c1=O Show InChI InChI=1S/C13H10ClN3O4S/c14-7-2-1-3-8-12(7)15-9(22-8)4-17-10(18)5-16(13(17)21)6-11(19)20/h1-3,5,18H,4,6H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056538 (CHEMBL159820 | [3-(5-Chloro-benzothiazol-2-ylmethy...) Show SMILES OC(=O)Cn1ccc(=O)n(Cc2nc3cc(Cl)ccc3s2)c1=O Show InChI InChI=1S/C14H10ClN3O4S/c15-8-1-2-10-9(5-8)16-11(23-10)6-18-12(19)3-4-17(14(18)22)7-13(20)21/h1-5H,6-7H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056541 (CHEMBL159288 | [2-Methylene-3-(3-nitro-benzyl)-4,5...) Show SMILES OC(=O)CN1C(=C)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O Show InChI InChI=1S/C13H11N3O6/c1-8-14(12(19)13(20)15(8)7-11(17)18)6-9-3-2-4-10(5-9)16(21)22/h2-5H,1,6-7H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056537 (CHEMBL159475 | [3-(3-Nitro-benzyl)-2,4,6-trioxo-te...) Show SMILES OC(=O)Cn1c(=O)cc(O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O Show InChI InChI=1S/C13H11N3O7/c17-10-5-11(18)15(7-12(19)20)13(21)14(10)6-8-2-1-3-9(4-8)16(22)23/h1-5,17H,6-7H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056526 (CHEMBL160032 | [3-(3-Nitro-benzyl)-2,4-dioxo-3,4-d...) Show SMILES OC(=O)Cn1ccc(=O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O Show InChI InChI=1S/C13H11N3O6/c17-11-4-5-14(8-12(18)19)13(20)15(11)7-9-2-1-3-10(6-9)16(21)22/h1-6H,7-8H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056536 (CHEMBL159750 | [3-(3-Nitro-benzyl)-2,5-dioxo-imida...) Show SMILES OC(=O)Cn1c(O)cn(Cc2cccc(c2)[N+]([O-])=O)c1=O Show InChI InChI=1S/C12H11N3O6/c16-10-6-13(12(19)14(10)7-11(17)18)5-8-2-1-3-9(4-8)15(20)21/h1-4,6,16H,5,7H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50056528 (CHEMBL160151 | CHEMBL351564 | [4-Hydroxy-3-(3-nitr...) Show SMILES OC(=O)Cn1c(O)c(O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O Show InChI InChI=1S/C12H11N3O7/c16-9(17)6-14-11(19)10(18)13(12(14)20)5-7-2-1-3-8(4-7)15(21)22/h1-4,18-19H,5-6H2,(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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).				J Med Chem 40: 684-94 (1997) Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50330608 (CHEMBL1277113 | N-(3,5-Difluoro-4-hydroxyphenyl)-4...) Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1F Show InChI InChI=1S/C13H8F5NO3S/c14-10-5-8(6-11(15)12(10)20)19-23(21,22)9-3-1-7(2-4-9)13(16,17)18/h1-6,19-20H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Fischer-344 rat kidney AK1A1				J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50054324 ((3-Oxo-3,5-dihydro-indeno[1,2-c]pyridazin-2-yl)-ac...) Show SMILES OC(=O)Cn1nc-2c(Cc3ccccc-23)cc1=O Show InChI InChI=1S/C13H10N2O3/c16-11-6-9-5-8-3-1-2-4-10(8)13(9)14-15(11)7-12(17)18/h1-4,6H,5,7H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of Aldehyde reductase 1				J Med Chem 39: 4396-405 (1996) Article DOI: 10.1021/jm960124f BindingDB Entry DOI: 10.7270/Q2N58N21
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50251024 (CHEMBL457486 | N-(3,5-Difluoro-4-hydroxyphenyl)-4-...) Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1F Show InChI InChI=1S/C12H8F2N2O5S/c13-10-5-7(6-11(14)12(10)17)15-22(20,21)9-3-1-8(2-4-9)16(18)19/h1-6,15,17H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Fischer-344 rat kidney AK1A1				J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50054316 (2-Carboxymethyl-3-oxo-3,5-dihydro-2H-indeno[1,2-c]...) Show SMILES OC(=O)Cn1nc2-c3ccccc3Cc2c(C(O)=O)c1=O Show InChI InChI=1S/C14H10N2O5/c17-10(18)6-16-13(19)11(14(20)21)9-5-7-3-1-2-4-8(7)12(9)15-16/h1-4H,5-6H2,(H,17,18)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of Aldehyde reductase 1				J Med Chem 39: 4396-405 (1996) Article DOI: 10.1021/jm960124f BindingDB Entry DOI: 10.7270/Q2N58N21
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50054320 ((3-Oxo-5,6-dihydro-3H-benzo[h]cinnolin-2-yl)-aceti...) Show SMILES OC(=O)Cn1nc-2c(CCc3ccccc-23)cc1=O Show InChI InChI=1S/C14H12N2O3/c17-12-7-10-6-5-9-3-1-2-4-11(9)14(10)15-16(12)8-13(18)19/h1-4,7H,5-6,8H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of Aldehyde reductase 1				J Med Chem 39: 4396-405 (1996) Article DOI: 10.1021/jm960124f BindingDB Entry DOI: 10.7270/Q2N58N21
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rattus norvegicus)	BDBM50054329 (2-Carboxymethyl-3-oxo-2,3,5,6-tetrahydro-benzo[h]c...) Show SMILES OC(=O)Cn1nc-2c(CCc3ccccc-23)c(C(O)=O)c1=O Show InChI InChI=1S/C15H12N2O5/c18-11(19)7-17-14(20)12(15(21)22)10-6-5-8-3-1-2-4-9(8)13(10)16-17/h1-4H,5-7H2,(H,18,19)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of Aldehyde reductase 1				J Med Chem 39: 4396-405 (1996) Article DOI: 10.1021/jm960124f BindingDB Entry DOI: 10.7270/Q2N58N21
					More data for this Ligand-Target Pair

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