Found 109 hits with Last Name = 'demopoulos' and Initial = 'vj' 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 |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM21400
(CHEMBL192571 | N-[(4-{[(2R)-4-(dimethylamino)-1-(p...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 |r| Show InChI InChI=1S/C32H41N5O5S2/c1-32(2)17-20-36(21-18-32)26-12-10-24(11-13-26)31(38)34-44(41,42)28-14-15-29(30(22-28)37(39)40)33-25(16-19-35(3)4)23-43-27-8-6-5-7-9-27/h5-15,22,25,33H,16-21,23H2,1-4H3,(H,34,38)/t25-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xl |
J Med Chem 53: 6779-810 (2010)
Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM |
More data for this Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM21447
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Binding affinity to BCl2 |
J Med Chem 53: 6779-810 (2010)
Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM21447
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xl |
J Med Chem 53: 6779-810 (2010)
Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50270877
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| PDB Article PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xl |
J Med Chem 53: 6779-810 (2010)
Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM21400
(CHEMBL192571 | N-[(4-{[(2R)-4-(dimethylamino)-1-(p...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 |r| Show InChI InChI=1S/C32H41N5O5S2/c1-32(2)17-20-36(21-18-32)26-12-10-24(11-13-26)31(38)34-44(41,42)28-14-15-29(30(22-28)37(39)40)33-25(16-19-35(3)4)23-43-27-8-6-5-7-9-27/h5-15,22,25,33H,16-21,23H2,1-4H3,(H,34,38)/t25-/m1/s1 | PDB
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| Article PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Binding affinity to BCl2 |
J Med Chem 53: 6779-810 (2010)
Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM23223
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3 | PDB MMDB
NCI pathway KEGG
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| Article PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Binding affinity to MCL1 |
J Med Chem 53: 6779-810 (2010)
Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM |
More data for this Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM23223
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3 | PDB
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| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Binding affinity to BCl2 |
J Med Chem 53: 6779-810 (2010)
Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM23223
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xl |
J Med Chem 53: 6779-810 (2010)
Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50122956
(CHEMBL138065 | [2,4-Bis-(4-methoxy-benzoyl)-pyrrol...)Show SMILES COc1ccc(cc1)C(=O)c1cc(C(=O)c2ccc(OC)cc2)n(CC(O)=O)c1 Show InChI InChI=1S/C22H19NO6/c1-28-17-7-3-14(4-8-17)21(26)16-11-19(23(12-16)13-20(24)25)22(27)15-5-9-18(29-2)10-6-15/h3-12H,13H2,1-2H3,(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.36 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibitory activity against aldose reductase enzyme |
J Med Chem 46: 417-26 (2003)
Article DOI: 10.1021/jm0209477 BindingDB Entry DOI: 10.7270/Q2PG1SGT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16452
((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27) | PDB
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| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibitory activity against aldose reductase enzyme |
J Med Chem 46: 417-26 (2003)
Article DOI: 10.1021/jm0209477 BindingDB Entry DOI: 10.7270/Q2PG1SGT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | 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
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| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibitory activity against aldose reductase enzyme |
J Med Chem 46: 417-26 (2003)
Article DOI: 10.1021/jm0209477 BindingDB Entry DOI: 10.7270/Q2PG1SGT |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of CDK4 |
J Med Chem 53: 6779-810 (2010)
Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM |
More data for this Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50329819
((R)-1-((2S,3R)-3-hydroxy-2-(6-phenylpicolinamido)b...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O Show InChI InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 13.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of cathepsin G |
J Med Chem 53: 6779-810 (2010)
Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 6
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of CDK6 |
J Med Chem 53: 6779-810 (2010)
Article DOI: 10.1021/jm100189a BindingDB Entry DOI: 10.7270/Q29C6XPM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | 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
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| PDB Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibitory activity against aldose reductase enzyme |
J Med Chem 46: 417-26 (2003)
Article DOI: 10.1021/jm0209477 BindingDB Entry DOI: 10.7270/Q2PG1SGT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | 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
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| PDB Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibitory activity against aldose reductase enzyme |
J Med Chem 46: 417-26 (2003)
Article DOI: 10.1021/jm0209477 BindingDB Entry DOI: 10.7270/Q2PG1SGT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | 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
antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of aldose reductase |
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 | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50425858
(CHEMBL2312338)Show InChI InChI=1S/C17H9BrF3NO2/c18-9-3-4-11(12(19)6-9)16(23)15-2-1-5-22(15)10-7-13(20)17(24)14(21)8-10/h1-8,24H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 190 | 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 ALR1 using D,L-glyceraldehyde as substrate by spectrophotometry |
Bioorg Med Chem 21: 869-73 (2013)
Article DOI: 10.1016/j.bmc.2012.12.015 BindingDB Entry DOI: 10.7270/Q22N53KJ |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 249 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of aldose reductase in rat lenses |
Bioorg Med Chem 16: 3926-32 (2008)
Article DOI: 10.1016/j.bmc.2008.01.042 BindingDB Entry DOI: 10.7270/Q2JQ10SH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | 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
antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| n/a | n/a | 249 | n/a | n/a | n/a | n/a | n/a | n/a |
National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Inhibition of aldose reductase |
Eur J Med Chem 45: 1663-6 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.007 BindingDB Entry DOI: 10.7270/Q2N58MJW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 |
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 | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description In vitro inhibitory activity of compound against rat lens aldose reductase |
J Med Chem 47: 2706-9 (2004)
Article DOI: 10.1021/jm031060t BindingDB Entry DOI: 10.7270/Q2NZ8720 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of aldose reductase in Fischer-344 rat lens homogenate 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 | 3D Structure (crystal) |
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
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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 B1
(Rattus norvegicus) | BDBM50336704
((1-(3,5-Difluoro-4-hydroxyphenyl)-1H-pyrrol-2-yl)(...)Show InChI InChI=1S/C18H13F2NO3/c1-24-13-6-4-11(5-7-13)17(22)16-3-2-8-21(16)12-9-14(19)18(23)15(20)10-12/h2-10,23H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 |
Bioorg Med Chem 19: 1426-33 (2011)
Article DOI: 10.1016/j.bmc.2011.01.009 BindingDB Entry DOI: 10.7270/Q2KP82FG |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50146186
(CHEMBL329563 | [1-(3-Amino-5-fluoro-4-hydroxy-phen...)Show InChI InChI=1S/C17H13FN2O2/c18-14-8-13(9-15(19)17(14)22)20-7-6-12(10-20)16(21)11-4-2-1-3-5-11/h1-10,22H,19H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 396 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description In vitro inhibitory activity of compound against rat lens aldose reductase |
J Med Chem 47: 2706-9 (2004)
Article DOI: 10.1021/jm031060t BindingDB Entry DOI: 10.7270/Q2NZ8720 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 397 | 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 lens ALR2 by least-square analysis |
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 B1
(Rattus norvegicus) | BDBM50336708
((1-(3,5-Difluoro-4-hydroxyphenyl)-1H-pyrrol-3-yl)(...)Show InChI InChI=1S/C17H11F2NO2/c18-14-8-13(9-15(19)17(14)22)20-7-6-12(10-20)16(21)11-4-2-1-3-5-11/h1-10,22H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 |
Bioorg Med Chem 19: 1426-33 (2011)
Article DOI: 10.1016/j.bmc.2011.01.009 BindingDB Entry DOI: 10.7270/Q2KP82FG |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50237838
((R)-3-(4,5-dihydroxy-2-nitrophenyl)-2-(3-(4,5-dihy...)Show SMILES OC(=O)[C@@H](Cc1cc(O)c(O)cc1[N+]([O-])=O)OC(=O)\C=C\c1cc(O)c(O)cc1[N+]([O-])=O Show InChI InChI=1S/C18H14N2O12/c21-12-3-8(10(19(28)29)6-14(12)23)1-2-17(25)32-16(18(26)27)5-9-4-13(22)15(24)7-11(9)20(30)31/h1-4,6-7,16,21-24H,5H2,(H,26,27)/b2-1+/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 741 | n/a | n/a | n/a | n/a | n/a | n/a |
National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Inhibition of aldose reductase |
Eur J Med Chem 45: 1663-6 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.007 BindingDB Entry DOI: 10.7270/Q2N58MJW |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50336705
((1-(3,5-Difluoro-4-hydroxyphenyl)-1H-pyrrol-2-yl)(...)Show InChI InChI=1S/C17H11F2NO2/c18-13-9-12(10-14(19)17(13)22)20-8-4-7-15(20)16(21)11-5-2-1-3-6-11/h1-10,22H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 |
Bioorg Med Chem 19: 1426-33 (2011)
Article DOI: 10.1016/j.bmc.2011.01.009 BindingDB Entry DOI: 10.7270/Q2KP82FG |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50336703
((1-(3,5-Difluoro-4-hydroxyphenyl)-1H-pyrrol-2-yl)(...)Show InChI InChI=1S/C18H13F2NO3/c1-24-13-5-2-4-11(8-13)17(22)16-6-3-7-21(16)12-9-14(19)18(23)15(20)10-12/h2-10,23H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 |
Bioorg Med Chem 19: 1426-33 (2011)
Article DOI: 10.1016/j.bmc.2011.01.009 BindingDB Entry DOI: 10.7270/Q2KP82FG |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50336702
(CHEMBL1673033 | [1-(2,4-Difluoro-3-hydroxyphenyl)-...)Show InChI InChI=1S/C17H11F2NO2/c18-13-6-7-14(15(19)17(13)22)20-9-8-12(10-20)16(21)11-4-2-1-3-5-11/h1-10,22H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 |
Bioorg Med Chem 19: 1426-33 (2011)
Article DOI: 10.1016/j.bmc.2011.01.009 BindingDB Entry DOI: 10.7270/Q2KP82FG |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50237839
((R)-3-(4,5-dihydroxy-2-nitrophenyl)-2-(3-(3,4-dihy...)Show SMILES OC(=O)[C@@H](Cc1cc(O)c(O)cc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H15NO10/c20-12-3-1-9(5-13(12)21)2-4-17(24)29-16(18(25)26)7-10-6-14(22)15(23)8-11(10)19(27)28/h1-6,8,16,20-23H,7H2,(H,25,26)/b4-2+/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Inhibition of aldose reductase |
Eur J Med Chem 45: 1663-6 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.007 BindingDB Entry DOI: 10.7270/Q2N58MJW |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50146187
((3-Benzoyl-pyrrol-1-yl)-acetic acid | 2-(3-benzoyl...)Show InChI InChI=1S/C13H11NO3/c15-12(16)9-14-7-6-11(8-14)13(17)10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description In vitro inhibitory activity of compound against rat lens aldose reductase |
J Med Chem 47: 2706-9 (2004)
Article DOI: 10.1021/jm031060t BindingDB Entry DOI: 10.7270/Q2NZ8720 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50146187
((3-Benzoyl-pyrrol-1-yl)-acetic acid | 2-(3-benzoyl...)Show InChI InChI=1S/C13H11NO3/c15-12(16)9-14-7-6-11(8-14)13(17)10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of aldose reductase in Fischer-344 rat lens homogenate 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 B1
(Homo sapiens (Human)) | BDBM50133496
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Inhibition of aldose reductase |
Eur J Med Chem 45: 1663-6 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.007 BindingDB Entry DOI: 10.7270/Q2N58MJW |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50425857
(CHEMBL2312339)Show SMILES Oc1c(F)cc(cc1F)-n1ccc(c1)C(=O)c1ccc(Br)cc1F Show InChI InChI=1S/C17H9BrF3NO2/c18-10-1-2-12(13(19)5-10)16(23)9-3-4-22(8-9)11-6-14(20)17(24)15(21)7-11/h1-8,24H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.31E+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 ALR1 using D,L-glyceraldehyde as substrate by spectrophotometry |
Bioorg Med Chem 21: 869-73 (2013)
Article DOI: 10.1016/j.bmc.2012.12.015 BindingDB Entry DOI: 10.7270/Q22N53KJ |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50425859
(CHEMBL2312337)Show SMILES Oc1c(F)cc(cc1F)-n1ccc(c1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H15F2NO2/c24-20-12-19(13-21(25)23(20)28)26-11-10-18(14-26)22(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14,28H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.63E+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 ALR1 using D,L-glyceraldehyde as substrate by spectrophotometry |
Bioorg Med Chem 21: 869-73 (2013)
Article DOI: 10.1016/j.bmc.2012.12.015 BindingDB Entry DOI: 10.7270/Q22N53KJ |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.70E+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 lens ALR2 by least-square analysis |
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 B1
(Rattus norvegicus) | BDBM50308548
(4-(3-Benzoyl-1H-pyrrol-1-yl)butanoic acid | CHEMBL...)Show InChI InChI=1S/C15H15NO3/c17-14(18)7-4-9-16-10-8-13(11-16)15(19)12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9H2,(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of aldose reductase in Fischer-344 rat lens homogenate 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) | 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 B1
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.90E+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 lens ALR2 by least-square analysis |
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 B1
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.00E+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 lens ALR2 by least-square analysis |
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 B1
(Rattus norvegicus) | BDBM50308547
(3-(3-Benzoyl-1H-pyrrol-1-yl)propanoic acid | CHEMB...)Show InChI InChI=1S/C14H13NO3/c16-13(17)7-9-15-8-6-12(10-15)14(18)11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,16,17) | PDB MMDB
Reactome pathway 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 aldose reductase in Fischer-344 rat lens homogenate 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) | 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 B1
(Rattus norvegicus) | BDBM50336706
((1-(3,5-Difluoro-4-hydroxyphenyl)-1H-pyrrol-3-yl)(...)Show SMILES COc1cccc(c1)C(=O)c1ccn(c1)-c1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C18H13F2NO3/c1-24-14-4-2-3-11(7-14)17(22)12-5-6-21(10-12)13-8-15(19)18(23)16(20)9-13/h2-10,23H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 |
Bioorg Med Chem 19: 1426-33 (2011)
Article DOI: 10.1016/j.bmc.2011.01.009 BindingDB Entry DOI: 10.7270/Q2KP82FG |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50251025
(4-Amino-N-(3,5-difluoro-4-hydroxyphenyl)benzenesul...)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 B1
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+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 lens ALR2 by least-square analysis |
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 B1
(Rattus norvegicus) | BDBM50001061
(CHEMBL3236020)Show SMILES Oc1ccc(cc1F)-n1cc(cc1C(=O)C(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C19H12F3NO3/c20-14-9-13(6-7-16(14)24)23-10-12(8-15(23)18(26)19(21)22)17(25)11-4-2-1-3-5-11/h1-10,19,24H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.21E+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 ALR1 using D-glucuronate as substrate by spectrophotometry |
Bioorg Med Chem 22: 2194-207 (2014)
Article DOI: 10.1016/j.bmc.2014.02.016 BindingDB Entry DOI: 10.7270/Q2CJ8G0C |
More data for this Ligand-Target Pair | |