BDBM10515 5-(1,2-dithiolan-3-yl)pentanoic acid::CHEMBL33864::D,L-Lipoic acid::D,L-Thioctic acid::cid_864::lipoic acid (LA)
SMILES: OC(=O)CCCCC1CCSS1
InChI Key: InChIKey=AGBQKNBQESQNJD-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 (AR) (Homo sapiens (Human)) | BDBM10515 (5-(1,2-dithiolan-3-yl)pentanoic acid | CHEMBL33864...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.55E+4 | -6.26 | 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) | ||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM10515 (5-(1,2-dithiolan-3-yl)pentanoic acid | CHEMBL33864...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | 8.0 | 37 |
University of Bologna | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at... | J Med Chem 48: 360-3 (2005) Article DOI: 10.1021/jm049112h BindingDB Entry DOI: 10.7270/Q2JQ0Z7J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO1 activating enzyme subunit 1 (Homo sapiens (Human)) | BDBM10515 (5-(1,2-dithiolan-3-yl)pentanoic acid | CHEMBL33864...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 4.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BP0175 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
eukaryotic translation initiation factor 4 gamma, 1 isoform 4 (Homo sapiens (Human)) | BDBM10515 (5-(1,2-dithiolan-3-yl)pentanoic acid | CHEMBL33864...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2RN3686 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
hexokinase (Trypanosoma brucei) | BDBM10515 (5-(1,2-dithiolan-3-yl)pentanoic acid | CHEMBL33864...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 201 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2N29VCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM10515 (5-(1,2-dithiolan-3-yl)pentanoic acid | CHEMBL33864...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | 8.0 | 37 |
University of Bologna | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at... | J Med Chem 48: 360-3 (2005) Article DOI: 10.1021/jm049112h BindingDB Entry DOI: 10.7270/Q2JQ0Z7J | |||||||||||
More data for this Ligand-Target Pair |