BDBM50539576 CHEMBL4639168

SMILES: COc1ccc(cc1)-c1ccc(\C=N\N2CC(=O)N(CCC3CCN(Cc4ccccc4)CC3)C2=O)o1

InChI Key: InChIKey=RYLYBQQKQZYJAO-NDZAJKAJSA-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 = 50539576   

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))	BDBM50539576 (CHEMBL4639168) Show SMILES COc1ccc(cc1)-c1ccc(\C=N\N2CC(=O)N(CCC3CCN(Cc4ccccc4)CC3)C2=O)o1 Show InChI InChI=1S/C29H32N4O4/c1-36-25-9-7-24(8-10-25)27-12-11-26(37-27)19-30-33-21-28(34)32(29(33)35)18-15-22-13-16-31(17-14-22)20-23-5-3-2-4-6-23/h2-12,19,22H,13-18,20-21H2,1H3/b30-19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate by Ellman's method				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair