Found 18 hits of ic50 for UniProtKB: P50578 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
(Sus scrofa) | BDBM50009832
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)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
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| PubMed
| n/a | n/a | 0.480 | 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 D-glucose 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
(Sus scrofa) | BDBM50009844
(2-fluorospiro[9H-fluorene-9,4'-(tetrahydro-1'H-imi...)Show InChI InChI=1S/C15H9FN2O2/c16-8-5-6-10-9-3-1-2-4-11(9)15(12(10)7-8)13(19)17-14(20)18-15/h1-7H,(H2,17,18,19,20) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values |
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
(Sus scrofa) | 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 MMDB
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| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of pig ALR1 |
Bioorg Med Chem 17: 1244-50 (2009)
Article DOI: 10.1016/j.bmc.2008.12.024 BindingDB Entry DOI: 10.7270/Q20Z734Z |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Sus scrofa) | BDBM16314
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)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
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| DrugBank PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values |
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
(Sus scrofa) | BDBM50049730
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)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
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| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values |
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
(Sus scrofa) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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Patents
Similars
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| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity measured against pig kidney aldehyde reductase using 3-pyridinecarboxaldehyde as substrate |
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
(Sus scrofa) | BDBM50009777
((ponalrestat)[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,...)Show InChI InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23) | PDB MMDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values |
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
(Sus scrofa) | BDBM16314
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)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
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| DrugBank Article PubMed
| n/a | n/a | 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of pig ALR1 |
Bioorg Med Chem 17: 1244-50 (2009)
Article DOI: 10.1016/j.bmc.2008.12.024 BindingDB Entry DOI: 10.7270/Q20Z734Z |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Sus scrofa) | BDBM16512
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1 | PDB MMDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibitory concentration against porcine ALR1 Aldehyde reductase using DL-glyceraldehyde |
J Med Chem 48: 5536-42 (2005)
Article DOI: 10.1021/jm050412o BindingDB Entry DOI: 10.7270/Q2K35T6F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member A1
(Sus scrofa) | BDBM50009832
(1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...)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
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| n/a | n/a | 3.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity was measured against pig kidney aldehyde reductase in the presence of 1 uM compound with 3-pyridine carboxaldehyde 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
(Sus scrofa) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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Patents
Similars
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibitory concentration against porcine ALR1 Aldehyde reductase using DL-glyceraldehyde |
J Med Chem 48: 5536-42 (2005)
Article DOI: 10.1021/jm050412o BindingDB Entry DOI: 10.7270/Q2K35T6F |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Sus scrofa) | BDBM50213307
(CHEMBL396176 | [(5Z)-5-{[3-(carboxymethoxy)-4-meth...)Show SMILES COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1OCC(O)=O Show InChI InChI=1S/C15H13NO8S/c1-23-9-3-2-8(4-10(9)24-7-13(19)20)5-11-14(21)16(6-12(17)18)15(22)25-11/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)/b11-5- | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of pig ALR1 assessed as decrease in NADPH absorbance by spectrophotometry |
Eur J Med Chem 45: 1140-5 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.019 BindingDB Entry DOI: 10.7270/Q27081KV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member A1
(Sus scrofa) | BDBM26269
(3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...)Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of pig ALR1 |
Bioorg Med Chem 17: 1244-50 (2009)
Article DOI: 10.1016/j.bmc.2008.12.024 BindingDB Entry DOI: 10.7270/Q20Z734Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member A1
(Sus scrofa) | BDBM50089423
((2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-...)Show SMILES NC(=O)[C@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 Show InChI InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m1/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 1.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibitory concentration against porcine ALR1 Aldehyde reductase using DL-glyceraldehyde |
J Med Chem 48: 5536-42 (2005)
Article DOI: 10.1021/jm050412o BindingDB Entry DOI: 10.7270/Q2K35T6F |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Sus scrofa) | BDBM50312535
(CHEMBL1076861 | [5-(3-hydroxy-4-methoxybenzylidene...)Show InChI InChI=1S/C13H11NO6S/c1-20-9-3-2-7(4-8(9)15)5-10-12(18)14(6-11(16)17)13(19)21-10/h2-5,15H,6H2,1H3,(H,16,17)/b10-5- | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of pig ALR1 assessed as decrease in NADPH absorbance by spectrophotometry |
Eur J Med Chem 45: 1140-5 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.019 BindingDB Entry DOI: 10.7270/Q27081KV |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Sus scrofa) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)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
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| Article PubMed
| n/a | n/a | 3.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of pig ALR1 |
Bioorg Med Chem 17: 1244-50 (2009)
Article DOI: 10.1016/j.bmc.2008.12.024 BindingDB Entry DOI: 10.7270/Q20Z734Z |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Sus scrofa) | BDBM50009834
(2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...)Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1 | PDB MMDB
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| n/a | n/a | 8.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values |
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
(Sus scrofa) | BDBM50009839
(2-Methyl-1,4-dioxo-1,2,3,4-tetrahydro-naphthalene-...)Show InChI InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/p-1 | PDB MMDB
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Patents
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| n/a | n/a | 4.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values |
J Med Chem 34: 1011-8 (1991)
Checked by Author BindingDB Entry DOI: 10.7270/Q2NK3FMZ |
More data for this Ligand-Target Pair | |