null

SMILES: COc1ccc(CNc2c3CCCCc3nc3cc(Cl)ccc23)cc1

InChI Key: InChIKey=JLVGFOSIFYSMHY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 199189   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM199189 (6-Chloro-N-(4-methoxybenzyl)-1,2,3,4-tetrahydroacr...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C21H21ClN2O/c1-25-16-9-6-14(7-10-16)13-23-21-17-4-2-3-5-19(17)24-20-12-15(22)8-11-18(20)21/h6-12H,2-5,13H2,1H3,(H,23,24)	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	700	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
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199189 (6-Chloro-N-(4-methoxybenzyl)-1,2,3,4-tetrahydroacr...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C21H21ClN2O/c1-25-16-9-6-14(7-10-16)13-23-21-17-4-2-3-5-19(17)24-20-12-15(22)8-11-18(20)21/h6-12H,2-5,13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+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
					More data for this Ligand-Target Pair