BDBM50426915 CHEMBL2323711

SMILES: COc1cc2CC(CCCCCCCCCN[C@H]3CCCc4[nH]c(=O)ccc34)C(=O)c2cc1OC

InChI Key: InChIKey=BLIOLTTZZUBDMX-JWIMYKKASA-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 = 50426915   

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 (Rattus norvegicus (rat))	BDBM50426915 (CHEMBL2323711) Show SMILES COc1cc2CC(CCCCCCCCCN[C@H]3CCCc4[nH]c(=O)ccc34)C(=O)c2cc1OC |r| Show InChI InChI=1S/C29H40N2O4/c1-34-26-18-21-17-20(29(33)23(21)19-27(26)35-2)11-8-6-4-3-5-7-9-16-30-24-12-10-13-25-22(24)14-15-28(32)31-25/h14-15,18-20,24,30H,3-13,16-17H2,1-2H3,(H,31,32)/t20?,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of AChE in Sprague-Dawley rat cortices using acetylthiocholine iodide as substrate by Ellman's method				Bioorg Med Chem 21: 676-83 (2013) Article DOI: 10.1016/j.bmc.2012.11.044 BindingDB Entry DOI: 10.7270/Q20C4X3F
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