BDBM16429 2,6-Dichlorophenylacetic acid::2-(2,6-dichlorophenyl)acetic acid::CHEMBL240293::EINECS 229-504-0
SMILES: OC(=O)Cc1c(Cl)cccc1Cl
InChI Key: InChIKey=SFAILOOQFZNOAU-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldose Reductase (ALR2) Mutant (C298A/W219Y) (Homo sapiens (Human)) | BDBM16429 (2,6-Dichlorophenylacetic acid | 2-(2,6-dichlorophe...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 1.00E+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 (crystal) | ||||||||||||
Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16429 (2,6-Dichlorophenylacetic acid | 2-(2,6-dichlorophe...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 4.40E+3 | -7.30 | 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 | 3D Structure (crystal) | ||||||||||||
Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16429 (2,6-Dichlorophenylacetic acid | 2-(2,6-dichlorophe...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 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) |