BindingDB PrimarySearch

null

SMILES: COc1ccc(CCNc2c3CCCCc3nc3ccc(Cl)cc23)cc1OC

InChI Key: InChIKey=LMSVYBAQJKAYOC-UHFFFAOYSA-N

Found 2 hits for monomerid = 199198
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cholinesterase (Homo sapiens (Human))	BDBM199198 (7-Chloro-N-(3,4-dimethoxyphenethyl)-1,2,3,4-tetrah...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
University of Waterloo					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199198 (7-Chloro-N-(3,4-dimethoxyphenethyl)-1,2,3,4-tetrah...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
University of Waterloo					More data for this Ligand-Target Pair