BDBM50160080 CHEMBL3787307

SMILES: CC(C)N1Cc2cc(O)ccc2N(C)C1c1ccccc1

InChI Key: InChIKey=KRNZIDZPBRRUJF-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50160080   

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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50160080 (CHEMBL3787307) Show SMILES CC(C)N1Cc2cc(O)ccc2N(C)C1c1ccccc1 Show InChI InChI=1S/C18H22N2O/c1-13(2)20-12-15-11-16(21)9-10-17(15)19(3)18(20)14-7-5-4-6-8-14/h4-11,13,18,21H,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...				J Med Chem 59: 2067-82 (2016) BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50160080 (CHEMBL3787307) Show SMILES CC(C)N1Cc2cc(O)ccc2N(C)C1c1ccccc1 Show InChI InChI=1S/C18H22N2O/c1-13(2)20-12-15-11-16(21)9-10-17(15)19(3)18(20)14-7-5-4-6-8-14/h4-11,13,18,21H,12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.53E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition measured af...				J Med Chem 59: 2067-82 (2016) BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair