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BDBM50147105 (4-Hydroxy-butyl)-trimethyl-ammonium::CHEMBL102289::CHEMBL1209423

SMILES: C[N+](C)(C)CCCCO

InChI Key: InChIKey=WZENRHJTCWKPAZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50147105   
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
Choline transporter


(Mus musculus)
BDBM50147105
PNG
((4-Hydroxy-butyl)-trimethyl-ammonium | CHEMBL10228...)
Show SMILES C[N+](C)(C)CCCCO
Show InChI InChI=1S/C7H18NO/c1-8(2,3)6-4-5-7-9/h9H,4-7H2,1-3H3/q+1
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.10E+5n/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
Creatine transporter


(Rattus norvegicus)
BDBM50147105
PNG
((4-Hydroxy-butyl)-trimethyl-ammonium | CHEMBL10228...)
Show SMILES C[N+](C)(C)CCCCO
Show InChI InChI=1S/C7H18NO/c1-8(2,3)6-4-5-7-9/h9H,4-7H2,1-3H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats


Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair