BDBM50199528 CHEMBL413244::N,N'-dimethyl-N-(4-fluorobenzyl)-N'-(1-oxo-8,15-didehydrolycodinocarbonylmethyl)-1,12-dodecanediamine

SMILES: CN(CCCCCCCCCCCCN(C)Cc1ccc(F)cc1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3

InChI Key: InChIKey=PPEZHAIMPHDNBB-BSKOTCCJSA-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 = 50199528   

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))	BDBM50199528 (CHEMBL413244 | N,N'-dimethyl-N-(4-fluorobenzyl)-N'...) Show SMILES CN(CCCCCCCCCCCCN(C)Cc1ccc(F)cc1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:48,THB:44:43:31:33.34.40| Show InChI InChI=1S/C39H57FN4O2/c1-30-25-32-26-36-35(20-21-37(45)41-36)39(27-30)34(32)15-14-24-44(39)38(46)29-43(3)23-13-11-9-7-5-4-6-8-10-12-22-42(2)28-31-16-18-33(40)19-17-31/h16-21,25,32,34H,4-15,22-24,26-29H2,1-3H3,(H,41,45)/t32-,34+,39+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	309	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