BDBM50199533 CHEMBL267606::N,N'-dimethyl-N,N'-bis[2-(1-oxo-8,15-didehydrolycodino)ethyl]-1,8-octanediamine

SMILES: CN(CCCCCCCCN(C)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3

InChI Key: InChIKey=ZIDZNHIOPNDABP-GGIDTOTHSA-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 = 50199533   

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))	BDBM50199533 (CHEMBL267606 | N,N'-dimethyl-N,N'-bis[2-(1-oxo-8,1...) Show SMILES CN(CCCCCCCCN(C)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:34,59,THB:31:30:18:20.21.27,47:48:39:50.53.51,43:42:39:50.53.51| Show InChI InChI=1S/C46H68N6O2/c1-33-27-35-29-41-39(15-17-43(53)47-41)45(31-33)37(35)13-11-21-51(45)25-23-49(3)19-9-7-5-6-8-10-20-50(4)24-26-52-22-12-14-38-36-28-34(2)32-46(38,52)40-16-18-44(54)48-42(40)30-36/h15-18,27-28,35-38H,5-14,19-26,29-32H2,1-4H3,(H,47,53)(H,48,54)/t35-,36-,37+,38+,45+,46+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.1	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