BDBM50199532 CHEMBL267836::N,N'-dimethyl-N-(2-methoxybenzyl)-N'-(1-oxo-8,15-didehydrolycodinocarbonylmethyl)-1,12-dodecanediamine

SMILES: COc1ccccc1CN(C)CCCCCCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3

InChI Key: InChIKey=GVFOFEYUTKFWMW-WURBUEOHSA-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 = 50199532   

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))	BDBM50199532 (CHEMBL267836 | N,N'-dimethyl-N-(2-methoxybenzyl)-N...) Show SMILES COc1ccccc1CN(C)CCCCCCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:49,THB:45:44:32:34.35.41| Show InChI InChI=1S/C40H60N4O3/c1-31-26-33-27-36-35(21-22-38(45)41-36)40(28-31)34(33)19-17-25-44(40)39(46)30-43(3)24-16-12-10-8-6-5-7-9-11-15-23-42(2)29-32-18-13-14-20-37(32)47-4/h13-14,18,20-22,26,33-34H,5-12,15-17,19,23-25,27-30H2,1-4H3,(H,41,45)/t33-,34+,40+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62.2	n/a	n/a	n/a	n/a	5.0	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex at pH 5				Bioorg Med Chem 15: 1394-408 (2007) Article DOI: 10.1016/j.bmc.2006.11.009 BindingDB Entry DOI: 10.7270/Q27W6BTX
					More data for this Ligand-Target Pair