BindingDB logo
myBDB logout

BDBM50416504 CHEMBL1209579

SMILES: CCCCCCCC[N+]1(CCC#Cc2cc(OC)c(OC)c(OC)c2)CCCCC1

InChI Key: InChIKey=JWOWBAHFWMZAHX-UHFFFAOYSA-N

Data: 1 KI

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 = 50416504   
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
High affinity choline transporter 1


(Mus musculus)		BDBM50416504
PNG
(CHEMBL1209579)
Show SMILES CCCCCCCC[N+]1(CCC#Cc2cc(OC)c(OC)c(OC)c2)CCCCC1
Show InChI InChI=1S/C26H42NO3/c1-5-6-7-8-9-12-17-27(18-13-10-14-19-27)20-15-11-16-23-21-24(28-2)26(30-4)25(22-23)29-3/h21-22H,5-10,12-15,17-20H2,1-4H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 230n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair