BDBM50056538 CHEMBL159820::[3-(5-Chloro-benzothiazol-2-ylmethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-acetic acid::{3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID
SMILES: OC(=O)Cn1ccc(=O)n(Cc2nc3cc(Cl)ccc3s2)c1=O
InChI Key: InChIKey=RQWICELTTDJODO-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldehyde reductase (Rattus norvegicus) | BDBM50056538 (CHEMBL159820 | [3-(5-Chloro-benzothiazol-2-ylmethy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL | Assay Description In vitro inhibitory activity against rat kidney aldehyde reductase(ALR). | 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 | |||||||||||||
Aldose reductase (Rattus norvegicus) | BDBM50056538 (CHEMBL159820 | [3-(5-Chloro-benzothiazol-2-ylmethy...) | 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) |