Compile Data Set for Download or QSAR

Found 439 hits of ic50 for UniProtKB: P16116   

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 [K65Q] (Bos taurus (Cattle))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
EP811-CNRS Curated by ChEMBL					Assay Description Evaluated in vitro for the inhibition of Aldose reductase.				J Med Chem 41: 4706-15 (1998) Article DOI: 10.1021/jm9801399 BindingDB Entry DOI: 10.7270/Q2JQ1040
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038843 ((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...) Show SMILES Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1 |r| Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50068078 (CHEMBL142239 | {5-[1-(1-Methoxy-naphthalen-2-yl)-m...) Show SMILES COc1c(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc2ccccc12 Show InChI InChI=1S/C17H13NO4S2/c1-22-15-11(7-6-10-4-2-3-5-12(10)15)8-13-16(21)18(9-14(19)20)17(23)24-13/h2-8H,9H2,1H3,(H,19,20)/b13-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
EP811-CNRS Curated by ChEMBL					Assay Description Evaluated in vitro for the inhibition of Aldose reductase.				J Med Chem 41: 4706-15 (1998) Article DOI: 10.1021/jm9801399 BindingDB Entry DOI: 10.7270/Q2JQ1040
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038840 ((4R)-2-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydr...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccccc2[C@@]2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C19H12BrFN2O4/c20-11-6-5-10(14(21)7-11)9-23-16(25)12-3-1-2-4-13(12)19(18(23)27)8-15(24)22-17(19)26/h1-7H,8-9H2,(H,22,24,26)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50068085 (CHEMBL358284 | {5-[1-(1-Bromo-naphthalen-2-yl)-met...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc3ccccc3c2Br)C1=O Show InChI InChI=1S/C16H10BrNO3S2/c17-14-10(6-5-9-3-1-2-4-11(9)14)7-12-15(21)18(8-13(19)20)16(22)23-12/h1-7H,8H2,(H,19,20)/b12-7-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
EP811-CNRS Curated by ChEMBL					Assay Description Evaluated in vitro for the inhibition of Aldose reductase.				J Med Chem 41: 4706-15 (1998) Article DOI: 10.1021/jm9801399 BindingDB Entry DOI: 10.7270/Q2JQ1040
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038843 ((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...) Show SMILES Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1 |r| Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038858 (2-(1,3-benzothiazol-2-ylmethyl)-1H,2'H,5'H-spiro[i...) Show SMILES O=C1CC2(C(=O)N1)C(=O)N(Cc1nc3ccccc3s1)C(=O)c1ccccc21 Show InChI InChI=1S/C20H13N3O4S/c24-15-9-20(18(26)22-15)12-6-2-1-5-11(12)17(25)23(19(20)27)10-16-21-13-7-3-4-8-14(13)28-16/h1-8H,9-10H2,(H,22,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50068083 (CHEMBL358825 | {5-[1-(3-Bromo-naphthalen-2-yl)-met...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cc3ccccc3cc2Br)C1=O Show InChI InChI=1S/C16H10BrNO3S2/c17-12-6-10-4-2-1-3-9(10)5-11(12)7-13-15(21)18(8-14(19)20)16(22)23-13/h1-7H,8H2,(H,19,20)/b13-7-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
EP811-CNRS Curated by ChEMBL					Assay Description Evaluated in vitro for the inhibition of Aldose reductase.				J Med Chem 41: 4706-15 (1998) Article DOI: 10.1021/jm9801399 BindingDB Entry DOI: 10.7270/Q2JQ1040
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038851 (2-[3-(trifluoromethyl)benzyl]-1H,2'H,5'H-spiro[iso...) Show SMILES FC(F)(F)c1cccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)c1 Show InChI InChI=1S/C20H13F3N2O4/c21-20(22,23)12-5-3-4-11(8-12)10-25-16(27)13-6-1-2-7-14(13)19(18(25)29)9-15(26)24-17(19)28/h1-8H,9-10H2,(H,24,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038842 (2-(1,3-benzothiazol-2-ylmethyl)-6-fluoro-1H,2'H,5'...) Show SMILES Fc1ccc2C(=O)N(Cc3nc4ccccc4s3)C(=O)C3(CC(=O)NC3=O)c2c1 Show InChI InChI=1S/C20H12FN3O4S/c21-10-5-6-11-12(7-10)20(8-15(25)23-18(20)27)19(28)24(17(11)26)9-16-22-13-3-1-2-4-14(13)29-16/h1-7H,8-9H2,(H,23,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038844 (2-(4-bromo-2-fluorobenzyl)-7-fluoro-1H,2'H,5'H-spi...) Show SMILES Fc1ccc2c(c1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)C21CC(=O)NC1=O Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-6-11(21)3-4-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50068086 (CHEMBL142701 | {5-[1-(3-Methoxy-naphthalen-2-yl)-m...) Show SMILES COc1cc2ccccc2cc1\C=C1/SC(=S)N(CC(O)=O)C1=O Show InChI InChI=1S/C17H13NO4S2/c1-22-13-7-11-5-3-2-4-10(11)6-12(13)8-14-16(21)18(9-15(19)20)17(23)24-14/h2-8H,9H2,1H3,(H,19,20)/b14-8-	PDB UniProtKB/SwissProt 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
EP811-CNRS Curated by ChEMBL					Assay Description Evaluated in vitro for the inhibition of Aldose reductase.				J Med Chem 41: 4706-15 (1998) Article DOI: 10.1021/jm9801399 BindingDB Entry DOI: 10.7270/Q2JQ1040
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038856 (2-(4-bromo-2-fluorobenzyl)-5-fluoro-1H,2'H,5'H-spi...) Show SMILES Fc1cccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)C3(CC(=O)NC3=O)c12 Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-5-4-9(13(22)6-10)8-24-16(26)11-2-1-3-12(21)15(11)19(18(24)28)7-14(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038853 (2-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]meth...) Show SMILES FC(F)(F)c1ccc2sc(CN3C(=O)c4ccccc4C4(CC(=O)NC4=O)C3=O)nc2c1 Show InChI InChI=1S/C21H12F3N3O4S/c22-21(23,24)10-5-6-14-13(7-10)25-16(32-14)9-27-17(29)11-3-1-2-4-12(11)20(19(27)31)8-15(28)26-18(20)30/h1-7H,8-9H2,(H,26,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038838 (2-(3,4-dichlorobenzyl)-1H,2'H,5'H-spiro[isoquinoli...) Show SMILES Clc1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1Cl Show InChI InChI=1S/C19H12Cl2N2O4/c20-13-6-5-10(7-14(13)21)9-23-16(25)11-3-1-2-4-12(11)19(18(23)27)8-15(24)22-17(19)26/h1-7H,8-9H2,(H,22,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038852 (2-(4-bromobenzyl)-1H,2'H,5'H-spiro[isoquinoline-4,...) Show SMILES Brc1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C19H13BrN2O4/c20-12-7-5-11(6-8-12)10-22-16(24)13-3-1-2-4-14(13)19(18(22)26)9-15(23)21-17(19)25/h1-8H,9-10H2,(H,21,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038862 (2-(4-chlorobenzyl)-1H,2'H,5'H-spiro[isoquinoline-4...) Show SMILES Clc1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C19H13ClN2O4/c20-12-7-5-11(6-8-12)10-22-16(24)13-3-1-2-4-14(13)19(18(22)26)9-15(23)21-17(19)25/h1-8H,9-10H2,(H,21,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038857 (2-(4-bromo-2-fluorobenzyl)-8-fluoro-1H,2'H,5'H-spi...) Show SMILES Fc1cccc2c1C(=O)N(Cc1ccc(Br)cc1F)C(=O)C21CC(=O)NC1=O Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-5-4-9(13(22)6-10)8-24-16(26)15-11(2-1-3-12(15)21)19(18(24)28)7-14(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038839 (2-(4-bromo-2-fluorobenzyl)-1H,2'H,5'H-spiro[isoqui...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccccc2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C19H12BrFN2O4/c20-11-6-5-10(14(21)7-11)9-23-16(25)12-3-1-2-4-13(12)19(18(23)27)8-15(24)22-17(19)26/h1-7H,8-9H2,(H,22,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Inc. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of aldose reductase activity in partially purified bovine lens preparation				J Med Chem 37: 2059-70 (1994) BindingDB Entry DOI: 10.7270/Q2765DD3
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038839 (2-(4-bromo-2-fluorobenzyl)-1H,2'H,5'H-spiro[isoqui...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccccc2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C19H12BrFN2O4/c20-11-6-5-10(14(21)7-11)9-23-16(25)12-3-1-2-4-13(12)19(18(23)27)8-15(24)22-17(19)26/h1-7H,8-9H2,(H,22,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038861 (2-[4-(trifluoromethyl)benzyl]-1H,2'H,5'H-spiro[iso...) Show SMILES FC(F)(F)c1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C20H13F3N2O4/c21-20(22,23)12-7-5-11(6-8-12)10-25-16(27)13-3-1-2-4-14(13)19(18(25)29)9-15(26)24-17(19)28/h1-8H,9-10H2,(H,24,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038849 (2-(3-methylbenzyl)-1H,2'H,5'H-spiro[isoquinoline-4...) Show SMILES Cc1cccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)c1 Show InChI InChI=1S/C20H16N2O4/c1-12-5-4-6-13(9-12)11-22-17(24)14-7-2-3-8-15(14)20(19(22)26)10-16(23)21-18(20)25/h2-9H,10-11H2,1H3,(H,21,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50010062 (CHEMBL84152 | [(2-Fluoro-6-methoxy-5-trifluorometh...) Show SMILES COC(=O)N(CC(O)=O)C(=O)c1c(F)ccc2c(c(OC)ccc12)C(F)(F)F Show InChI InChI=1S/C17H13F4NO6/c1-27-11-6-4-8-9(14(11)17(19,20)21)3-5-10(18)13(8)15(25)22(7-12(23)24)16(26)28-2/h3-6H,7H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of aldose reductase activity of the compound was measured on partially purified bovine lens preparations incubated in presense of 50 mM gl...				J Med Chem 34: 2504-20 (1991) BindingDB Entry DOI: 10.7270/Q2H9945P
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038854 (2-(4-methoxybenzyl)-1H,2'H,5'H-spiro[isoquinoline-...) Show SMILES COc1ccc(CN2C(=O)c3ccccc3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C20H16N2O5/c1-27-13-8-6-12(7-9-13)11-22-17(24)14-4-2-3-5-15(14)20(19(22)26)10-16(23)21-18(20)25/h2-9H,10-11H2,1H3,(H,21,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038846 (6-fluoro-2-(5-trifluoromethylbenzo[d][1,3]thiazol-...) Show SMILES Fc1ccc2C(=O)N(Cc3nc4cc(ccc4s3)C(F)(F)F)C(=O)C3(CC(=O)NC3=O)c2c1 Show InChI InChI=1S/C21H11F4N3O4S/c22-10-2-3-11-12(6-10)20(7-15(29)27-18(20)31)19(32)28(17(11)30)8-16-26-13-5-9(21(23,24)25)1-4-14(13)33-16/h1-6H,7-8H2,(H,27,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038863 (6-bromo-2-(4-bromo-2-fluorobenzyl)-7-methoxy-1H,2'...) Show SMILES COc1cc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)C3(CC(=O)NC3=O)c2cc1Br Show InChI InChI=1S/C20H13Br2FN2O5/c1-30-15-5-11-12(6-13(15)22)20(7-16(26)24-18(20)28)19(29)25(17(11)27)8-9-2-3-10(21)4-14(9)23/h2-6H,7-8H2,1H3,(H,24,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038845 (2-(4-bromo-2-fluorobenzyl)-5-fluoro-6-methoxy-1H,2...) Show SMILES COc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)C3(CC(=O)NC3=O)c2c1F Show InChI InChI=1S/C20H13BrF2N2O5/c1-30-13-5-4-11-15(16(13)23)20(7-14(26)24-18(20)28)19(29)25(17(11)27)8-9-2-3-10(21)6-12(9)22/h2-6H,7-8H2,1H3,(H,24,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038841 (2-(4-bromo-2-fluorobenzyl)-6-chloro-1H,2'H,5'H-spi...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccc(Cl)cc2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C19H11BrClFN2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038859 ((4S)-2-[(4-bromo-2-fluorophenyl)methyl]-6-fluoro-2...) Show SMILES Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@@]3(CC(=O)NC3=O)c2c1 Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038848 (2-(4-bromo-2-fluorobenzyl)-7-chloro-1H,2'H,5'H-spi...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cc(Cl)ccc2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C19H11BrClFN2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-6-11(21)3-4-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase in partially purified bovine lens preparation at a concentration of 10e -8M.				J Med Chem 34: 1492-503 (1991) BindingDB Entry DOI: 10.7270/Q2WM1CCR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description inhibition of aldose reductase activity of the compound was measured on partially purified bovine lens preparations incubated in presense of 50 mM gl...				J Med Chem 34: 2504-20 (1991) BindingDB Entry DOI: 10.7270/Q2H9945P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase from the partially purified bovine lens				J Med Chem 33: 2892-9 (1990) BindingDB Entry DOI: 10.7270/Q27H1HK5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of bovine lens aldose reductase				J Med Chem 32: 757-65 (1989) BindingDB Entry DOI: 10.7270/Q22B8X0W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine lens aldose reductase with DL-glyceraldehyde as substrate				J Med Chem 27: 255-6 (1984) BindingDB Entry DOI: 10.7270/Q2QR4W4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038860 (2-(4-bromo-2-fluorobenzyl)-7-methoxy-1H,2'H,5'H-sp...) Show SMILES COc1ccc2c(c1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)C21CC(=O)NC1=O Show InChI InChI=1S/C20H14BrFN2O5/c1-29-12-4-5-14-13(7-12)17(26)24(9-10-2-3-11(21)6-15(10)22)19(28)20(14)8-16(25)23-18(20)27/h2-7H,8-9H2,1H3,(H,23,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro Inhibition of aldose reductase was measured in isolated partially purified bovine lens preparations at 10e-7 M concentration				J Med Chem 34: 2504-20 (1991) BindingDB Entry DOI: 10.7270/Q2H9945P
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50038855 (2-(4-bromo-2-fluorobenzyl)-6-(trifluoromethyl)-1H,...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccc(cc2C2(CC(=O)NC2=O)C1=O)C(F)(F)F Show InChI InChI=1S/C20H11BrF4N2O4/c21-11-3-1-9(14(22)6-11)8-27-16(29)12-4-2-10(20(23,24)25)5-13(12)19(18(27)31)7-15(28)26-17(19)30/h1-6H,7-8H2,(H,26,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation				J Med Chem 37: 2043-58 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8STM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50068074 (CHEMBL142001 | {5-[1-(3-Chloro-naphthalen-2-yl)-me...) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cc3ccccc3cc2Cl)C1=O Show InChI InChI=1S/C16H10ClNO4S/c17-12-6-10-4-2-1-3-9(10)5-11(12)7-13-15(21)18(8-14(19)20)16(22)23-13/h1-7H,8H2,(H,19,20)/b13-7-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
EP811-CNRS Curated by ChEMBL					Assay Description Evaluated in vitro for the inhibition of Aldose reductase.				J Med Chem 41: 4706-15 (1998) Article DOI: 10.1021/jm9801399 BindingDB Entry DOI: 10.7270/Q2JQ1040
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50068075 (CHEMBL336874 | {5-[1-(1-Bromo-naphthalen-2-yl)-met...) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc3ccccc3c2Br)C1=O Show InChI InChI=1S/C16H10BrNO4S/c17-14-10(6-5-9-3-1-2-4-11(9)14)7-12-15(21)18(8-13(19)20)16(22)23-12/h1-7H,8H2,(H,19,20)/b12-7-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
EP811-CNRS Curated by ChEMBL					Assay Description Evaluated in vitro for the inhibition of Aldose reductase.				J Med Chem 41: 4706-15 (1998) Article DOI: 10.1021/jm9801399 BindingDB Entry DOI: 10.7270/Q2JQ1040
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50068073 (CHEMBL143658 | {5-[1-(6-Methoxy-naphthalen-2-yl)-m...) Show SMILES COc1ccc2cc(\C=C3/SC(=S)N(CC(O)=O)C3=O)ccc2c1 Show InChI InChI=1S/C17H13NO4S2/c1-22-13-5-4-11-6-10(2-3-12(11)8-13)7-14-16(21)18(9-15(19)20)17(23)24-14/h2-8H,9H2,1H3,(H,19,20)/b14-7-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
EP811-CNRS Curated by ChEMBL					Assay Description Evaluated in vitro for the inhibition of Aldose reductase.				J Med Chem 41: 4706-15 (1998) Article DOI: 10.1021/jm9801399 BindingDB Entry DOI: 10.7270/Q2JQ1040
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50334175 (2-(2,4-dioxo-5-(4-phenoxybenzylidene)thiazolidin-3...) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc(Oc3ccccc3)cc2)C1=O Show InChI InChI=1S/C18H13NO5S/c20-16(21)11-19-17(22)15(25-18(19)23)10-12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-10H,11H2,(H,20,21)/b15-10-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of bovine lens ALR2				Eur J Med Chem 46: 2797-806 (2011) Article DOI: 10.1016/j.ejmech.2011.03.068 BindingDB Entry DOI: 10.7270/Q2CF9QFF
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50068076 (CHEMBL143933 | {5-[1-(1-Nitro-naphthalen-2-yl)-met...) Show SMILES OC(=O)Cn1c([O-])c([CH+]c2ccc3ccccc3c2[N+]([O-])=O)sc1=S Show InChI InChI=1S/C16H10N2O5S2/c19-13(20)8-17-15(21)12(25-16(17)24)7-10-6-5-9-3-1-2-4-11(9)14(10)18(22)23/h1-7H,8H2,(H-,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
EP811-CNRS Curated by ChEMBL					Assay Description Evaluated in vitro for the inhibition of Aldose reductase.				J Med Chem 41: 4706-15 (1998) Article DOI: 10.1021/jm9801399 BindingDB Entry DOI: 10.7270/Q2JQ1040
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50068080 (CHEMBL142615 | {5-[1-Naphthalen-2-yl-meth-(Z)-ylid...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc3ccccc3c2)C1=O Show InChI InChI=1S/C16H11NO3S2/c18-14(19)9-17-15(20)13(22-16(17)21)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H,18,19)/b13-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
EP811-CNRS Curated by ChEMBL					Assay Description Evaluated in vitro for the inhibition of Aldose reductase.				J Med Chem 41: 4706-15 (1998) Article DOI: 10.1021/jm9801399 BindingDB Entry DOI: 10.7270/Q2JQ1040
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of Aldose reductase 2				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				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50437452 (CHEMBL2409349) Show SMILES Oc1cc(OCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H15NO9/c21-13-8-12(25-5-6-28-20(23)24)9-18-19(13)14(22)10-16(29-18)11-1-2-15-17(7-11)27-4-3-26-15/h1-2,7-10,21H,3-6H2	PDB UniProtKB/SwissProt 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
Xiangtan University Curated by ChEMBL					Assay Description Inhibition of bovine lens aldose reductase using DL-glyceraldehyde as substrate assessed as NADPH oxidation measured for 10 mins by spectrophotometri...				Bioorg Med Chem 21: 4301-10 (2013) Article DOI: 10.1016/j.bmc.2013.04.066 BindingDB Entry DOI: 10.7270/Q2BZ67GT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50022499 (7-methoxyspiro[3,4-dihydro-2H-benzo[h]chromene-4,4...) Show SMILES COc1cccc2c3OCCC4(NC(=O)NC4=O)c3ccc12 Show InChI InChI=1S/C16H14N2O4/c1-21-12-4-2-3-10-9(12)5-6-11-13(10)22-8-7-16(11)14(19)17-15(20)18-16/h2-6H,7-8H2,1H3,(H2,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of partially purified calf lens aldose reductase				J Med Chem 31: 230-43 (1988) BindingDB Entry DOI: 10.7270/Q27D2VQF
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50022415 (6-chloro-(4'S)-spiro[3,4-dihydro-2H-chromene-4,5'-...) Show SMILES OC1=NC(=O)[C@@]2(CCOc3ccc(Cl)cc23)O1 |t:1| Show InChI InChI=1S/C11H8ClNO4/c12-6-1-2-8-7(5-6)11(3-4-16-8)9(14)13-10(15)17-11/h1-2,5H,3-4H2,(H,13,14,15)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of partially purified calf lens aldose reductase				J Med Chem 31: 230-43 (1988) BindingDB Entry DOI: 10.7270/Q27D2VQF
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50226988 (CHEMBL81536) Show SMILES Clc1cc2SCCC3(NC(=O)NC3=O)c2cc1Cl Show InChI InChI=1S/C11H8Cl2N2O2S/c12-6-3-5-8(4-7(6)13)18-2-1-11(5)9(16)14-10(17)15-11/h3-4H,1-2H2,(H2,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of partially purified calf lens aldose reductase; value ranges from 10E-5 to 10E-6				J Med Chem 31: 230-43 (1988) BindingDB Entry DOI: 10.7270/Q27D2VQF
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 439 total )  |  Next  |  Last  >>

Jump to: