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BDBM50485613 TETRAHEXYLAMMONIUM::Tetrahexylammonium

SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC

InChI Key: InChIKey=DTIFFPXSSXFQCJ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50485613   
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
Solute carrier family 22 member 1


(Homo sapiens (Human))
BDBM50485613
PNG
(Tetrahexylammonium)
Show SMILES CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
Show InChI InChI=1S/C24H52N/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5-24H2,1-4H3/q+1
UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cells


J Pharmacol Exp Ther 288: 1192-8 (1999)


BindingDB Entry DOI: 10.7270/Q24X5BNQ
More data for this
Ligand-Target Pair