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SMILES: CCN(CCCCCC(=O)Nc1ccc(cc1)-c1ccc(NC(=O)CCCCCN(CC)Cc2ccccc2OC)cc1)Cc1ccccc1OC

InChI Key: InChIKey=DQFITZQWLBZWPL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231954   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50231954
PNG
(6-[ethyl-(2-methoxy-benzyl)-amino]-hexanoic acid (...)
Show SMILES CCN(CCCCCC(=O)Nc1ccc(cc1)-c1ccc(NC(=O)CCCCCN(CC)Cc2ccccc2OC)cc1)Cc1ccccc1OC
Show InChI InChI=1S/C44H58N4O4/c1-5-47(33-37-17-11-13-19-41(37)51-3)31-15-7-9-21-43(49)45-39-27-23-35(24-28-39)36-25-29-40(30-26-36)46-44(50)22-10-8-16-32-48(6-2)34-38-18-12-14-20-42(38)52-4/h11-14,17-20,23-30H,5-10,15-16,21-22,31-34H2,1-4H3,(H,45,49)(H,46,50)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 36n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human AchE

J Med Chem 51: 347-72 (2008)


Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W
More data for this
Ligand-Target Pair