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BDBM50368822 CHEMBL1203537

SMILES: CN=C(NCCNCc1ccc(CN2CCCCC2)o1)C(C#N)C#N

InChI Key: InChIKey=PSWZFGVUIMXTDK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50368822   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterases


(Homo sapiens (Human))
BDBM50368822
PNG
(CHEMBL1203537)
Show SMILES CN=C(NCCNCc1ccc(CN2CCCCC2)o1)C(C#N)C#N
Show InChI InChI=1S/C18H26N6O/c1-21-18(15(11-19)12-20)23-8-7-22-13-16-5-6-17(25-16)14-24-9-3-2-4-10-24/h5-6,15,22H,2-4,7-10,13-14H2,1H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 830n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of guinea pig acetylcholinesterase


J Med Chem 36: 572-9 (1993)


Article DOI: 10.1021/jm00057a007
BindingDB Entry DOI: 10.7270/Q2930TSP
More data for this
Ligand-Target Pair