BDBM50080464 ALR2 inhibitor, 12::CHEMBL1405739
SMILES: OC(=O)Cn1c2ccccc2c2nnc(S)nc12
InChI Key: InChIKey=LCMDWJXBUZDEKA-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 (Rattus norvegicus) | BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Slovak Academy of Sciences Curated by ChEMBL | Assay Description Uncompetitive inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate by double reciprocal plot analysis | 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 | |||||||||||||
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human)) | BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Slovak Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human AKR1B10 using D-glucuronate as substrate 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 | |||||||||||||
Aldose reductase (Rattus norvegicus) | BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 98 | 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 | |||||||||||||
Aldose reductase-related protein 1 (Rattus norvegicus) | BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.06E+4 | 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 kidney aldehyde reductase using D-glucuronate as substrate 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 | |||||||||||||
Aldose reductase (Rattus norvegicus) | BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 97 | 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 | |||||||||||||
Aldose reductase (Rattus norvegicus) | BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava Curated by ChEMBL | Assay Description Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using H2O-dissolved compound by spect... | J Med Chem 63: 369-381 (2020) Article DOI: 10.1021/acs.jmedchem.9b01747 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (Homo sapiens (Human)) | BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava Curated by ChEMBL | Assay Description Inhibition of human AKR1B1 expressed in Escherichia coli using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using by... | J Med Chem 63: 369-381 (2020) Article DOI: 10.1021/acs.jmedchem.9b01747 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (Rattus norvegicus) | BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava Curated by ChEMBL | Assay Description Inhibition of rat lens ALR2 using methylglyoxal as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analysis | J Med Chem 63: 369-381 (2020) Article DOI: 10.1021/acs.jmedchem.9b01747 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (Rattus norvegicus) | BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava Curated by ChEMBL | Assay Description Inhibition of rat lens ALR2 using 4-hydroxynonenal glutathione as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analy... | J Med Chem 63: 369-381 (2020) Article DOI: 10.1021/acs.jmedchem.9b01747 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (Rattus norvegicus) | BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 644 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava Curated by ChEMBL | Assay Description Inhibition of rat lens ALR2 using 4-hydroxynonenal as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analysis | J Med Chem 63: 369-381 (2020) Article DOI: 10.1021/acs.jmedchem.9b01747 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (Rattus norvegicus) | BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava Curated by ChEMBL | Assay Description Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using 1% DMSO-dissolved compound by s... | J Med Chem 63: 369-381 (2020) Article DOI: 10.1021/acs.jmedchem.9b01747 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (AR) (Homo sapiens (Human)) | BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 38 | n/a | n/a | n/a | 8.5 | n/a |
Philipps-Universität Marburg | Assay Description The anti-His antibody (His Capture Kit, GE Healthcare) was immobilized on sensor chip CM5 (GE Healthcare), in a Biacore T200 or Biacore S200 instrume... | ACS Chem Biol 12: 1397-1415 (2017) Article DOI: 10.1021/acschembio.7b00062 BindingDB Entry DOI: 10.7270/Q2416VXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (AR) (Homo sapiens (Human)) | BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Slovak Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human recombinant AKR1B1 using D-glucuronate as substrate 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 |