Found 28 hits of Enzyme Inhibition Constant Data 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
(Homo sapiens (Human)) | BDBM16315
(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17) | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50009767
(2-(4-oxo-3-((6-(trifluoromethyl)benzo[d]thiazol-2-...)Show SMILES OC(=O)Cc1nn(Cc2nc3ccc(cc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-13-15(7-10)29-16(23-13)9-25-18(28)12-4-2-1-3-11(12)14(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 |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16469
(2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methy...)Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12 Show InChI InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25) | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16239
(2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}ph...)Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C16H13ClN2O6/c17-11-4-5-13(14(7-11)25-9-15(20)21)16(22)18-8-10-2-1-3-12(6-10)19(23)24/h1-7H,8-9H2,(H,18,22)(H,20,21) | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50222613
(2-(2-((3-nitrobenzyl)carbamoyl)-4-cyano-5-fluoroph...)Show SMILES OC(=O)COc1cc(F)c(cc1C(=O)NCc1cccc(c1)[N+]([O-])=O)C#N Show InChI InChI=1S/C17H12FN3O6/c18-14-6-15(27-9-16(22)23)13(5-11(14)7-19)17(24)20-8-10-2-1-3-12(4-10)21(25)26/h1-6H,8-9H2,(H,20,24)(H,22,23) | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50222611
(2-(5-fluoro-2-(((4,5,7-trifluorobenzo[d]thiazol-2-...)Show SMILES OC(=O)COc1cc(F)ccc1C(=O)NCc1nc2c(F)c(F)cc(F)c2s1 Show InChI InChI=1S/C17H10F4N2O4S/c18-7-1-2-8(11(3-7)27-6-13(24)25)17(26)22-5-12-23-15-14(21)9(19)4-10(20)16(15)28-12/h1-4H,5-6H2,(H,22,26)(H,24,25) | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50067407
((3R)-2'-(4-bromo-2-fluorobenzyl)-1'H,2H,5H-spiro[p...)Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cccn2[C@@]2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)/t17-/m1/s1 | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16457
(6-[(5-chloro-1-benzofuran-2-)sulfonyl]-2,3-dihydro...)Show InChI InChI=1S/C12H7ClN2O4S/c13-8-1-2-9-7(5-8)6-12(19-9)20(17,18)11-4-3-10(16)14-15-11/h1-6H,(H,14,16) | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50222614
(2-(5-fluoro-2-(((5-(trifluoromethyl)benzo[d]thiazo...)Show SMILES OC(=O)COc1cc(F)ccc1C(=O)NCc1nc2cc(ccc2s1)C(F)(F)F Show InChI InChI=1S/C18H12F4N2O4S/c19-10-2-3-11(13(6-10)28-8-16(25)26)17(27)23-7-15-24-12-5-9(18(20,21)22)1-4-14(12)29-15/h1-6H,7-8H2,(H,23,27)(H,25,26) | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16313
(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioy...)Show InChI InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22) | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
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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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50222609
(2-(5-chloro-2-(((5-(trifluoromethyl)benzo[d]thiazo...)Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1nc2cc(ccc2s1)C(F)(F)F Show InChI InChI=1S/C18H12ClF3N2O4S/c19-10-2-3-11(13(6-10)28-8-16(25)26)17(27)23-7-15-24-12-5-9(18(20,21)22)1-4-14(12)29-15/h1-6H,7-8H2,(H,23,27)(H,25,26) | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16496
(2-{3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4...)Show SMILES OC(=O)Cn1c2cc(Cl)ccc2c(=O)n(Cc2ccc(Br)cc2F)c1=O Show InChI InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24) | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | 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
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | 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
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16631
(6-[(5,7-dichloro-1-benzofuran-2-)sulfonyl]-2,3-dih...)Show SMILES Clc1cc(Cl)c2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C12H6Cl2N2O4S/c13-7-3-6-4-11(20-12(6)8(14)5-7)21(18,19)10-2-1-9(17)15-16-10/h1-5H,(H,15,17) | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50222612
(2-(2,6-dimethyl-4-(2-o-tolylacetamido)phenylsulfon...)Show SMILES Cc1ccccc1CC(=O)Nc1cc(C)c(c(C)c1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C19H22N2O5S/c1-12-6-4-5-7-15(12)10-17(22)21-16-8-13(2)19(14(3)9-16)27(25,26)20-11-18(23)24/h4-9,20H,10-11H2,1-3H3,(H,21,22)(H,23,24) | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16456
(6-(1-benzofuran-2-sulfonyl)-2,3-dihydropyridazin-3...)Show InChI InChI=1S/C12H8N2O4S/c15-10-5-6-11(14-13-10)19(16,17)12-7-8-3-1-2-4-9(8)18-12/h1-7H,(H,13,15) | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50222610
(2-(2-((4-bromo-2-fluorobenzyl)carbamoyl)phenoxy)ac...)Show InChI InChI=1S/C16H13BrFNO4/c17-11-6-5-10(13(18)7-11)8-19-16(22)12-3-1-2-4-14(12)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21) | PDB
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Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50067397
((3S)-2'-(4-bromo-2-fluorobenzyl)-1'H,2H,5H-spiro[p...)Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cccn2[C@]2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)/t17-/m0/s1 | PDB
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16630
(6-[(5-methoxy-1-benzofuran-2-)sulfonyl]-2,3-dihydr...)Show InChI InChI=1S/C13H10N2O5S/c1-19-9-2-3-10-8(6-9)7-13(20-10)21(17,18)12-5-4-11(16)14-15-12/h2-7H,1H3,(H,14,16) | PDB
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | 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
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| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16623
(6-[(5-chloro-1H-indole-2-)sulfonyl]-2,3-dihydropyr...)Show SMILES Clc1ccc2[nH]c(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C12H8ClN3O3S/c13-8-1-2-9-7(5-8)6-12(14-9)20(18,19)11-4-3-10(17)15-16-11/h1-6,14H,(H,15,17) | PDB
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair | |
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
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16426
(2-(2-hydroxyphenyl)acetic acid | 2-Hydroxyphenylac...)Show InChI InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11) | PDB
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| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16429
(2,6-Dichlorophenylacetic acid | 2-(2,6-dichlorophe...)Show InChI InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12) | PDB
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| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16433
(CHEMBL14184 | Caproic acid | Hexanoic acid | n-Cap...)Show InChI InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) | PDB
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| n/a | n/a | 6.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16419
(2-phenylacetic acid | Benzeneacetic acid | CHEMBL1...)Show InChI InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) | PDB
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| n/a | n/a | 9.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase |
Bioorg Med Chem 15: 7865-77 (2007)
Article DOI: 10.1016/j.bmc.2007.08.019
BindingDB Entry DOI: 10.7270/Q2QR4WV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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