BDBM16415 (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid::2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}acetic acid::Alrestatin::CHEMBL63055::PiG::Spectrum_001449::Tocris-0485
SMILES: OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23
InChI Key: InChIKey=GCUCIFQCGJIRNT-UHFFFAOYSA-N
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 |
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Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.00E+3 | -7.77 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Medical College of Wiscosin | Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a... | Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose Reductase (ALR2) Mutant (C298A/W219Y) (Homo sapiens (Human)) | BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB Article PubMed | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wiscosin | Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a... | Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Aldose reductase (ALR2) (Bos taurus (Cattle)) | BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) | PDB GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of bovine lens aldose reductase with DL-glyceraldehyde as substrate | J Med Chem 27: 255-6 (1984) BindingDB Entry DOI: 10.7270/Q2QR4W4S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (Homo sapiens (Human)) | BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 7.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human placental aldose reductase in Orange A column at at day 2 | J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (Rattus norvegicus) | BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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 | |||||||||||||
Aldose reductase (Rattus norvegicus) | BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PubMed | n/a | n/a | 1.50E+3 | 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 | |||||||||||||
Aldose reductase (Homo sapiens (Human)) | BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human placental aldose reductase in 30 -70% (NH4)2SO4. | J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (Homo sapiens (Human)) | BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at time 1 | J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (Homo sapiens (Human)) | BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human placental aldose reductase in 30 -70% (NH4)2SO4. | J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (ALR2) (Bos taurus (Cattle)) | BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) | PDB GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research Curated by ChEMBL | Assay Description In vitro inhibition of partially purified calf lens aldose reductase; value ranges from 10E-5 to 10E-6 | J Med Chem 31: 230-43 (1988) BindingDB Entry DOI: 10.7270/Q27D2VQF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase (Saccharomyces cerevisiae (Baker's yeast)) | BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.0 | 0 |
Tohoku University | Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co. | Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at time 1 | J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD | |||||||||||
More data for this Ligand-Target Pair |