BDBM50199553 CHEMBL413243::N,N'-dimethyl-N-(4-fluorobenzyl)-N'-(1-oxo-8,15-didehydrolycodinocarbonylmethyl)-1,8-octanediamine

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

InChI Key: InChIKey=UMGQDRKIBLYRBN-UNPBUSPFSA-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 = 50199553   

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))	BDBM50199553 (CHEMBL413243 | N,N'-dimethyl-N-(4-fluorobenzyl)-N'...) Show SMILES CN(CCCCCCCCN(C)Cc1ccc(F)cc1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:44,THB:40:39:27:29.30.36| Show InChI InChI=1S/C35H49FN4O2/c1-26-21-28-22-32-31(16-17-33(41)37-32)35(23-26)30(28)11-10-20-40(35)34(42)25-39(3)19-9-7-5-4-6-8-18-38(2)24-27-12-14-29(36)15-13-27/h12-17,21,28,30H,4-11,18-20,22-25H2,1-3H3,(H,37,41)/t28-,30+,35+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56.5	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