BDBM50179701 4-(2,3,4-trichlorobenzylthio)-2-aminobutanoic acid::CHEMBL381281

SMILES: NC(CCSCc1ccc(Cl)c(Cl)c1Cl)C(O)=O

InChI Key: InChIKey=FTFTWVIFFSIXMK-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50179701   

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
Voltage-gated calcium channel alpha2/delta subunit 1 (Mus musculus)	BDBM50179701 (4-(2,3,4-trichlorobenzylthio)-2-aminobutanoic acid...) Show SMILES NC(CCSCc1ccc(Cl)c(Cl)c1Cl)C(O)=O Show InChI InChI=1S/C11H12Cl3NO2S/c12-7-2-1-6(9(13)10(7)14)5-18-4-3-8(15)11(16)17/h1-2,8H,3-5,15H2,(H,16,17)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain				Bioorg Med Chem Lett 16: 1138-41 (2006) Article DOI: 10.1016/j.bmcl.2005.11.108 BindingDB Entry DOI: 10.7270/Q2XS5TXV
					More data for this Ligand-Target Pair