Found 1258 hits of ic50 data for polymerid = 50002198 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
(Rattus norvegicus) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.420 | 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 B1
(Rattus norvegicus) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.420 | 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 B1
(Rattus norvegicus) | BDBM50487936
(CHEBI:48480 | CHEMBL2261578)Show SMILES COC(=O)c1cc2cc3cc4cc(CC(O)=O)c(C(=O)\C=C(/O)c5ccccc5O)c(OC)c4c(OC)c3c(O)c2c(=O)o1 Show InChI InChI=1S/C32H24O12/c1-41-29-24(21(35)13-20(34)18-6-4-5-7-19(18)33)17(12-23(36)37)10-15-8-14-9-16-11-22(31(39)43-3)44-32(40)26(16)28(38)25(14)30(42-2)27(15)29/h4-11,13,33-34,38H,12H2,1-3H3,(H,36,37)/b20-13- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Rattus norvegicus (rat) lens aldose reductase |
Citation and Details
Article DOI: 10.1007/s00044-011-9681-6
BindingDB Entry DOI: 10.7270/Q2J1061V |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
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Patents
Similars
| PDB
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Alcon Laboratories, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat kidney (RK) |
J Med Chem 34: 3229-34 (1991)
BindingDB Entry DOI: 10.7270/Q2QJ7HXM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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
(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
| | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
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Patents
Similars
| PDB
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity measured against rat lens aldose 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 |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50487916
(CHEMBL2261575)Show SMILES OC(=O)CCC1(O)OC2=CC(=O)c3c(O)cc(O)cc3C2=C1c1ccccc1 |c:22,t:8| Show InChI InChI=1S/C21H16O7/c22-12-8-13-18(14(23)9-12)15(24)10-16-19(13)20(11-4-2-1-3-5-11)21(27,28-16)7-6-17(25)26/h1-5,8-10,22-23,27H,6-7H2,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Rattus norvegicus (rat) lens aldose reductase |
Citation and Details
Article DOI: 10.1007/s00044-011-9681-6
BindingDB Entry DOI: 10.7270/Q2J1061V |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
National Eye Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified rat lens aldose reductase (RLAR) |
J Med Chem 37: 787-92 (1994)
BindingDB Entry DOI: 10.7270/Q2G73FCT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50010283
(2,7-difluorospiro[9H-fluorene-9,4'-(tetrahydro-1'H...)Show InChI InChI=1S/C15H8F2N2O2/c16-7-1-3-9-10-4-2-8(17)6-12(10)15(11(9)5-7)13(20)18-14(21)19-15/h1-6H,(H2,18,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Alcon Laboratories, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat kidney (RK) |
J Med Chem 34: 3229-34 (1991)
BindingDB Entry DOI: 10.7270/Q2QJ7HXM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
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Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Slovak Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry |
J Med Chem 58: 2649-57 (2015)
Article DOI: 10.1021/jm5015814
BindingDB Entry DOI: 10.7270/Q2WS8VZJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Slovak Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Wistar rat lens aldose reductase 2 |
Bioorg Med Chem 16: 4908-20 (2008)
Article DOI: 10.1016/j.bmc.2008.03.039
BindingDB Entry DOI: 10.7270/Q2HQ42PT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Slovak Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry |
J Med Chem 58: 2649-57 (2015)
Article DOI: 10.1021/jm5015814
BindingDB Entry DOI: 10.7270/Q2WS8VZJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50010282
(2,7-difluorospiro[9H-fluorene-9,3'-(tetrahydro-1'H...)Show InChI InChI=1S/C16H9F2NO2/c17-8-1-3-10-11-4-2-9(18)6-13(11)16(12(10)5-8)7-14(20)19-15(16)21/h1-6H,7H2,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Alcon Laboratories, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Aldose reductase from rat lens |
J Med Chem 34: 3229-34 (1991)
BindingDB Entry DOI: 10.7270/Q2QJ7HXM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50056538
(CHEMBL159820 | [3-(5-Chloro-benzothiazol-2-ylmethy...)Show InChI InChI=1S/C14H10ClN3O4S/c15-8-1-2-10-9(5-8)16-11(23-10)6-18-12(19)3-4-17(14(18)22)7-13(20)21/h1-5H,6-7H2,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Zoki Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat lens aldose reductase(AR). |
J Med Chem 40: 684-94 (1997)
Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50563402
(CHEMBL4782479)Show SMILES COc1cc(\C=C\c2cccc3n(CC(O)=O)c(=O)oc23)ccc1O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113269
BindingDB Entry DOI: 10.7270/Q2CV4NFV |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50487917
(CHEMBL2261574)Show SMILES OC(=O)CCC1(O)OC2=CC(=O)c3c(O)cc(O)cc3C2=C1c1ccc(O)cc1 |c:22,t:8| Show InChI InChI=1S/C21H16O8/c22-11-3-1-10(2-4-11)20-19-13-7-12(23)8-14(24)18(13)15(25)9-16(19)29-21(20,28)6-5-17(26)27/h1-4,7-9,22-24,28H,5-6H2,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Rattus norvegicus (rat) lens aldose reductase |
Citation and Details
Article DOI: 10.1007/s00044-011-9681-6
BindingDB Entry DOI: 10.7270/Q2J1061V |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50010283
(2,7-difluorospiro[9H-fluorene-9,4'-(tetrahydro-1'H...)Show InChI InChI=1S/C15H8F2N2O2/c16-7-1-3-9-10-4-2-8(17)6-12(10)15(11(9)5-7)13(20)18-14(21)19-15/h1-6H,(H2,18,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Alcon Laboratories, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of Aldose reductase (AR) from rat lens (RL) |
J Med Chem 34: 3229-34 (1991)
BindingDB Entry DOI: 10.7270/Q2QJ7HXM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50010282
(2,7-difluorospiro[9H-fluorene-9,3'-(tetrahydro-1'H...)Show InChI InChI=1S/C16H9F2NO2/c17-8-1-3-10-11-4-2-9(18)6-13(11)16(12(10)5-8)7-14(20)19-15(16)21/h1-6H,7H2,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Alcon Laboratories, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat kidney (RK) |
J Med Chem 34: 3229-34 (1991)
BindingDB Entry DOI: 10.7270/Q2QJ7HXM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50563408
(CHEMBL4743085)Show SMILES OC(=O)Cn1c2cccc(-c3ccc(cc3)C(F)(F)F)c2oc1=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113269
BindingDB Entry DOI: 10.7270/Q2CV4NFV |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of the human placental aldose reductase using the substrate as glyceraldehyde. |
J Med Chem 34: 108-22 (1991)
BindingDB Entry DOI: 10.7270/Q2513X6H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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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TBA
Curated by ChEMBL
| Assay Description
Inhibition of crude aldose reductase of rat lens |
J Med Chem 29: 2024-8 (1986)
BindingDB Entry DOI: 10.7270/Q2FF3SXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50563399
(CHEMBL4749891)Show SMILES COc1ccc(\C=C\c2cccc3n(CC(O)=O)c(=O)oc23)cc1 | PDB
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TBA
| Assay Description
Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113269
BindingDB Entry DOI: 10.7270/Q2CV4NFV |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50056534
(CHEMBL162697 | [3-(4-Chloro-benzothiazol-2-ylmethy...)Show InChI InChI=1S/C14H10ClN3O4S/c15-8-2-1-3-9-13(8)16-10(23-9)6-18-11(19)4-5-17(14(18)22)7-12(20)21/h1-5H,6-7H2,(H,20,21) | PDB
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Nippon Zoki Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat lens aldose reductase(AR). |
J Med Chem 40: 684-94 (1997)
Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50056531
(CHEMBL161043 | [3-(4-Chloro-benzothiazol-2-ylmethy...)Show SMILES OC(=O)CN1C(=O)N(Cc2nc3c(Cl)cccc3s2)C(=O)C1=O Show InChI InChI=1S/C13H8ClN3O5S/c14-6-2-1-3-7-10(6)15-8(23-7)4-16-11(20)12(21)17(13(16)22)5-9(18)19/h1-3H,4-5H2,(H,18,19) | PDB
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Nippon Zoki Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat lens aldose reductase(AR). |
J Med Chem 40: 684-94 (1997)
Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50451729
(CHEMBL4206601)Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21) | PDB
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Slovak Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m... |
Bioorg Med Chem 25: 6353-6360 (2017)
Article DOI: 10.1016/j.bmc.2017.10.005
BindingDB Entry DOI: 10.7270/Q23T9KSK |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50451734
(CHEMBL4219003)Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(ccc1n2CC(O)=O)C(O)=O Show InChI InChI=1S/C17H18N2O6/c1-2-25-17(24)18-6-5-14-12(8-18)11-7-10(16(22)23)3-4-13(11)19(14)9-15(20)21/h3-4,7H,2,5-6,8-9H2,1H3,(H,20,21)(H,22,23) | PDB
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Slovak Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m... |
Bioorg Med Chem 25: 6353-6360 (2017)
Article DOI: 10.1016/j.bmc.2017.10.005
BindingDB Entry DOI: 10.7270/Q23T9KSK |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50451734
(CHEMBL4219003)Show SMILES CCOC(=O)N1CCc2c(C1)c1cc(ccc1n2CC(O)=O)C(O)=O Show InChI InChI=1S/C17H18N2O6/c1-2-25-17(24)18-6-5-14-12(8-18)11-7-10(16(22)23)3-4-13(11)19(14)9-15(20)21/h3-4,7H,2,5-6,8-9H2,1H3,(H,20,21)(H,22,23) | PDB
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Slovak Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m... |
Bioorg Med Chem 25: 6353-6360 (2017)
Article DOI: 10.1016/j.bmc.2017.10.005
BindingDB Entry DOI: 10.7270/Q23T9KSK |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50451729
(CHEMBL4206601)Show InChI InChI=1S/C17H20N2O5/c1-3-24-17(22)18-7-6-15-13(9-18)12-8-11(23-2)4-5-14(12)19(15)10-16(20)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21) | PDB
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Slovak Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m... |
Bioorg Med Chem 25: 6353-6360 (2017)
Article DOI: 10.1016/j.bmc.2017.10.005
BindingDB Entry DOI: 10.7270/Q23T9KSK |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity measured against rat lens aldose 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 B1
(Rattus norvegicus) | BDBM50056540
(CHEMBL159413 | [3-(5-Chloro-benzothiazol-2-ylmethy...)Show SMILES OC(=O)CN1C(=O)N(Cc2nc3cc(Cl)ccc3s2)C(=O)C1=O Show InChI InChI=1S/C13H8ClN3O5S/c14-6-1-2-8-7(3-6)15-9(23-8)4-16-11(20)12(21)17(13(16)22)5-10(18)19/h1-3H,4-5H2,(H,18,19) | PDB
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Nippon Zoki Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat lens aldose reductase(AR). |
J Med Chem 40: 684-94 (1997)
Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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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National Eye Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against purified rat lens aldose reductase (RLAR) |
J Med Chem 37: 787-92 (1994)
BindingDB Entry DOI: 10.7270/Q2G73FCT |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50056535
(CHEMBL355148 | [3-(4-Chloro-3-nitro-benzyl)-2,4,5-...)Show SMILES OC(=O)CN1C(=O)N(Cc2ccc(Cl)c(c2)[N+]([O-])=O)C(=O)C1=O Show InChI InChI=1S/C12H8ClN3O7/c13-7-2-1-6(3-8(7)16(22)23)4-14-10(19)11(20)15(12(14)21)5-9(17)18/h1-3H,4-5H2,(H,17,18) | PDB
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Nippon Zoki Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat lens aldose reductase(AR). |
J Med Chem 40: 684-94 (1997)
Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84 |
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
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of crude aldose reductase of rat lens |
J Med Chem 29: 2024-8 (1986)
BindingDB Entry DOI: 10.7270/Q2FF3SXW |
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
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TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory concentration against rat lens aldose reductase (uncompetitive inhibition type) |
J Med Chem 29: 1094-9 (1986)
BindingDB Entry DOI: 10.7270/Q20865WC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50015589
(CHEMBL3260160)Show SMILES CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccc(cc1)S(=O)(=O)NC(=S)NC1CCCCC1 |t:10| Show InChI InChI=1S/C30H35N5O2S2/c1-34(2)25-15-13-22(14-16-25)28-21-29(23-9-5-3-6-10-23)35(32-28)26-17-19-27(20-18-26)39(36,37)33-30(38)31-24-11-7-4-8-12-24/h3,5-6,9-10,13-20,24,29H,4,7-8,11-12,21H2,1-2H3,(H2,31,33,38) | PDB
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Jamia Hamdard (Hamdard University)
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis |
Eur J Med Chem 80: 209-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50015588
(CHEMBL3260158)Show SMILES CCCCNC(=S)NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(cc1)N(C)C |c:19| Show InChI InChI=1S/C28H32ClN5O2S2/c1-4-5-18-30-28(37)32-38(35,36)25-16-14-24(15-17-25)34-27(21-6-10-22(29)11-7-21)19-26(31-34)20-8-12-23(13-9-20)33(2)3/h6-17,27H,4-5,18-19H2,1-3H3,(H2,30,32,37) | PDB
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Jamia Hamdard (Hamdard University)
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis |
Eur J Med Chem 80: 209-17 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50010281
(2,7-Difluorospiro[9H-fluorene-9,5'-isothiazolidin]...)Show InChI InChI=1S/C15H9F2NO3S/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(12(10)5-8)7-14(19)18-22(15,20)21/h1-6H,7H2,(H,18,19) | PDB
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Alcon Laboratories, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of Aldose reductase (AR) from rat lens (RL) |
J Med Chem 34: 3229-34 (1991)
BindingDB Entry DOI: 10.7270/Q2QJ7HXM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50435110
(CHEMBL2391535)Show InChI InChI=1S/C15H16N2O3/c1-10(18)16-7-6-14-12(8-16)11-4-2-3-5-13(11)17(14)9-15(19)20/h2-5H,6-9H2,1H3,(H,19,20) | PDB
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Slovak Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m... |
Bioorg Med Chem 25: 6353-6360 (2017)
Article DOI: 10.1016/j.bmc.2017.10.005
BindingDB Entry DOI: 10.7270/Q23T9KSK |
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
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TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its ability to inhibit crude aldose reductase obtained from rat lens |
J Med Chem 29: 627-9 (1986)
BindingDB Entry DOI: 10.7270/Q2RF5T16 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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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Alcon Laboratories, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of Aldose reductase (AR) from rat lens (RL) |
J Med Chem 34: 3229-34 (1991)
BindingDB Entry DOI: 10.7270/Q2QJ7HXM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50498624
(CHEMBL3609180)Show InChI InChI=1S/C16H11FN2O5/c17-9-1-6-13-12(7-9)18-15(16(23)19(13)8-14(21)22)24-11-4-2-10(20)3-5-11/h1-7,20H,8H2,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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UniChem
| Article
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Wistar rat ALR2 using D,L-glyceraldehyde as substrate assessed as oxidation of NADPH preincubated for 10 mins followed by substrate add... |
Bioorg Med Chem Lett 25: 3924-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.048
BindingDB Entry DOI: 10.7270/Q2BZ691T |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50022179
((3-Oxo-3H-benzo[f]chromen-1-yl)-acetic acid | CHEM...)Show InChI InChI=1S/C15H10O4/c16-13(17)7-10-8-14(18)19-12-6-5-9-3-1-2-4-11(9)15(10)12/h1-6,8H,7H2,(H,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory concentration against rat lens aldose reductase (uncompetitive inhibition type) |
J Med Chem 29: 1094-9 (1986)
BindingDB Entry DOI: 10.7270/Q20865WC |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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Nippon Zoki Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound against partially purified rat lens Aldose reductase at a dose of 5e-7M |
J Med Chem 39: 1924-7 (1996)
Article DOI: 10.1021/jm9508393
BindingDB Entry DOI: 10.7270/Q2PV6JGM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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Nippon Zoki Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat lens aldose reductase(AR). |
J Med Chem 40: 684-94 (1997)
Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50563412
(CHEMBL4746398)Show SMILES CC(C)(C)c1ccc(cc1)-c1cccc2n(CC(O)=O)c(=O)oc12 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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TBA
| Assay Description
Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113269
BindingDB Entry DOI: 10.7270/Q2CV4NFV |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50435110
(CHEMBL2391535)Show InChI InChI=1S/C15H16N2O3/c1-10(18)16-7-6-14-12(8-16)11-4-2-3-5-13(11)17(14)9-15(19)20/h2-5H,6-9H2,1H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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Slovak Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition m... |
Bioorg Med Chem 25: 6353-6360 (2017)
Article DOI: 10.1016/j.bmc.2017.10.005
BindingDB Entry DOI: 10.7270/Q23T9KSK |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50563415
(CHEMBL4786411)Show SMILES OC(=O)Cn1c2cccc(-c3ccc(cc3)-c3cccc4ccccc34)c2oc1=O | PDB
MMDB
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KEGG
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TBA
| Assay Description
Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113269
BindingDB Entry DOI: 10.7270/Q2CV4NFV |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50260962
(CHEMBL4075185)Show InChI InChI=1S/C14H13NO3/c1-10(16)15-9-13(18-11(2)17)8-14(15)12-6-4-3-5-7-12/h3-9H,1-2H3 | PDB
MMDB
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Center for Pharmacological Evaluation and Research, Shanghai Institute of Pharmaceutical Industry, 1111 Zhongshan North Road, Shanghai 200437, PR China; Changchun BC&HC Pharmaceutical Technology
Curated by ChEMBL
| Assay Description
Inhibition of AR in Sprague-Dawley rat lens using DL-glyceraldehyde as substrate by spectrophotometric analysis |
Bioorg Med Chem Lett 27: 4482-4487 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.002
BindingDB Entry DOI: 10.7270/Q2HX1G4J |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50563416
(CHEMBL4798469)Show SMILES OC(=O)Cn1c2cccc(-c3ccc(cc3)-c3ccc4ccccc4c3)c2oc1=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
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UniChem
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TBA
| Assay Description
Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113269
BindingDB Entry DOI: 10.7270/Q2CV4NFV |
More data for this
Ligand-Target Pair | |
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