Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50044404 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 [K65Q]
(Bos taurus (Cattle)) | BDBM50016230
(CHEMBL3262478)Show SMILES COc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCC(N)=O Show InChI InChI=1S/C15H14N2O6S2/c1-22-10-4-8(2-3-9(10)23-7-12(16)18)5-11-14(21)17(6-13(19)20)15(24)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM50016232
(CHEMBL3262476)Show SMILES NC(=O)COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1 Show InChI InChI=1S/C14H12N2O5S2/c15-11(17)7-21-9-3-1-8(2-4-9)5-10-13(20)16(6-12(18)19)14(22)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM50016233
(CHEMBL3262475)Show SMILES NC(=O)COc1cccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)c1 Show InChI InChI=1S/C14H12N2O5S2/c15-11(17)7-21-9-3-1-2-8(4-9)5-10-13(20)16(6-12(18)19)14(22)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM50016231
(CHEMBL3262477)Show SMILES COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1OCC(N)=O Show InChI InChI=1S/C15H14N2O6S2/c1-22-9-3-2-8(4-10(9)23-7-12(16)18)5-11-14(21)17(6-13(19)20)15(24)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | 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
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM50016234
(CHEMBL3262474)Show SMILES COc1cc(\C=C2/SC(=O)N(CC(O)=O)C2=O)ccc1OCC(N)=O Show InChI InChI=1S/C15H14N2O7S/c1-23-10-4-8(2-3-9(10)24-7-12(16)18)5-11-14(21)17(6-13(19)20)15(22)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM50016235
(CHEMBL3262473)Show SMILES COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1OCC(N)=O Show InChI InChI=1S/C15H14N2O7S/c1-23-9-3-2-8(4-10(9)24-7-12(16)18)5-11-14(21)17(6-13(19)20)15(22)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM50016236
(CHEMBL3262472)Show SMILES NC(=O)COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1 Show InChI InChI=1S/C14H12N2O6S/c15-11(17)7-22-9-3-1-8(2-4-9)5-10-13(20)16(6-12(18)19)14(21)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM50016237
(CHEMBL3262471)Show SMILES NC(=O)COc1cccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)c1 Show InChI InChI=1S/C14H12N2O6S/c15-11(17)7-22-9-3-1-2-8(4-9)5-10-13(20)16(6-12(18)19)14(21)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | 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
UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM50016240
(CHEMBL3262467)Show InChI InChI=1S/C12H10N2O3S2/c13-10(15)6-17-8-3-1-2-7(4-8)5-9-11(16)14-12(18)19-9/h1-5H,6H2,(H2,13,15)(H,14,16,18)/b9-5- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM50016239
(CHEMBL3262469)Show InChI InChI=1S/C13H12N2O4S2/c1-18-8-3-2-7(4-9(8)19-6-11(14)16)5-10-12(17)15-13(20)21-10/h2-5H,6H2,1H3,(H2,14,16)(H,15,17,20)/b10-5- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM50016238
(CHEMBL3262470)Show InChI InChI=1S/C13H12N2O4S2/c1-18-9-4-7(2-3-8(9)19-6-11(14)16)5-10-12(17)15-13(20)21-10/h2-5H,6H2,1H3,(H2,14,16)(H,15,17,20)/b10-5- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM50016243
(CHEMBL3262463)Show InChI InChI=1S/C12H10N2O4S/c13-10(15)6-18-8-3-1-2-7(4-8)5-9-11(16)14-12(17)19-9/h1-5H,6H2,(H2,13,15)(H,14,16,17)/b9-5- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM50016242
(CHEMBL3262465)Show InChI InChI=1S/C13H12N2O5S/c1-19-8-3-2-7(4-9(8)20-6-11(14)16)5-10-12(17)15-13(18)21-10/h2-5H,6H2,1H3,(H2,14,16)(H,15,17,18)/b10-5- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM50016241
(CHEMBL3262466)Show InChI InChI=1S/C13H12N2O5S/c1-19-9-4-7(2-3-8(9)20-6-11(14)16)5-10-12(17)15-13(18)21-10/h2-5H,6H2,1H3,(H2,14,16)(H,15,17,18)/b10-5- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | |