BDBM50260318 CHEMBL4061404

SMILES: COc1cc2CCN(CC3CCN(Cc4ccc(O)c(\C=N\O)c4)CC3)Cc2cc1OC

InChI Key: InChIKey=NWTZSLNGARCRGG-VULFUBBASA-N

Data: 1 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 1 hit for monomerid = 50260318   

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))	BDBM50260318 (CHEMBL4061404) Show SMILES COc1cc2CCN(CC3CCN(Cc4ccc(O)c(\C=N\O)c4)CC3)Cc2cc1OC Show InChI InChI=1S/C25H33N3O4/c1-31-24-12-20-7-10-28(17-22(20)13-25(24)32-2)15-18-5-8-27(9-6-18)16-19-3-4-23(29)21(11-19)14-26-30/h3-4,11-14,18,29-30H,5-10,15-17H2,1-2H3/b26-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.93E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fourth Military Medical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured every 5 mins for 20 mi...				Bioorg Med Chem 25: 4497-4505 (2017) Article DOI: 10.1016/j.bmc.2017.06.041 BindingDB Entry DOI: 10.7270/Q2SJ1P2T
					More data for this Ligand-Target Pair