BDBM50106731 (+)-alpha-Lipoic acid::(R)-(+)-lipoic acid::(R)-1,2-Dithiolane-3-pentanoic acid::(R)-lipoic acid::5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid::CHEMBL134342::Lipoic acid::Thioctic acid::Thioctic acid d-form::alpha-Lipoic acid

SMILES: C1CSS[C@@H]1CCCCC(=O)O

InChI Key: InChIKey=AGBQKNBQESQNJD-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

PDB links: 10 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50106731   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bile salt export pump (Human)	BDBM50106731 ((R)-(+)-lipoic acid | (R)-1,2-Dithiolane-3-pentano...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
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TAR DNA-binding protein 43 (Human)	BDBM50106731 ((R)-(+)-lipoic acid | (R)-1,2-Dithiolane-3-pentano...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Human)	BDBM50106731 ((R)-(+)-lipoic acid | (R)-1,2-Dithiolane-3-pentano...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
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Nuclear receptor subfamily 1 group I member 2 (Human)	BDBM50106731 ((R)-(+)-lipoic acid | (R)-1,2-Dithiolane-3-pentano...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair