BDBM50199552 CHEMBL389374::N,N''-dimethyl-N-(2-pyridylmethyl)-N'-(1-oxo-8,15-didehydrolycodinocarbonylmethyl)-1,8-octanediamine

SMILES: CN(CCCCCCCCN(C)Cc1ccccn1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3

InChI Key: InChIKey=WQIZDPGNODXVFZ-LTGROYGMSA-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 = 50199552   

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))	BDBM50199552 (CHEMBL389374 | N,N''-dimethyl-N-(2-pyridylmethyl)-...) Show SMILES CN(CCCCCCCCN(C)Cc1ccccn1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:43,THB:39:38:26:28.29.35| Show InChI InChI=1S/C34H49N5O2/c1-26-21-27-22-31-30(15-16-32(40)36-31)34(23-26)29(27)14-12-20-39(34)33(41)25-38(3)19-11-7-5-4-6-10-18-37(2)24-28-13-8-9-17-35-28/h8-9,13,15-17,21,27,29H,4-7,10-12,14,18-20,22-25H2,1-3H3,(H,36,40)/t27-,29+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41.2	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