BDBM50199515 CHEMBL244027::N,N'-dimethyl-N,N'-bis[2-(1-oxo-8,15-didehydrolycodino)ethyl]-1,6-hexanediamine

SMILES: CN(CCCCCCN(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=BQTCVCKZNUHVGA-BVAGYUCKSA-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 = 50199515   

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))	BDBM50199515 (CHEMBL244027 | N,N'-dimethyl-N,N'-bis[2-(1-oxo-8,1...) Show SMILES CN(CCCCCCN(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:32,57,THB:29:28:16:18.19.25,45:46:37:48.51.49,41:40:37:48.51.49| Show InChI InChI=1S/C44H64N6O2/c1-31-25-33-27-39-37(13-15-41(51)45-39)43(29-31)35(33)11-9-19-49(43)23-21-47(3)17-7-5-6-8-18-48(4)22-24-50-20-10-12-36-34-26-32(2)30-44(36,50)38-14-16-42(52)46-40(38)28-34/h13-16,25-26,33-36H,5-12,17-24,27-30H2,1-4H3,(H,45,51)(H,46,52)/t33-,34-,35+,36+,43+,44+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78.4	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