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BDBM50105135 CHEMBL542936::N2-(3-((12-((3-((4Amino,6-(methylamino)-1,3,5-triazin-2-yl)amino)propyl)amino)dodecyl)amino)-propyl)N4-methyl-1,3,5-triazine-4,2,6-triamine pentaahydrochloride

SMILES: CNc1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(N)nc(NC)n2)n1

InChI Key: InChIKey=WXCGLFIPZPGQEC-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50105135   
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
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105135
PNG
(CHEMBL542936 | N2-(3-((12-((3-((4Amino,6-(methylam...)
Show SMILES CNc1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(N)nc(NC)n2)n1
Show InChI InChI=1S/C26H52N14/c1-29-23-35-21(27)37-25(39-23)33-19-13-17-31-15-11-9-7-5-3-4-6-8-10-12-16-32-18-14-20-34-26-38-22(28)36-24(30-2)40-26/h31-32H,3-20H2,1-2H3,(H4,27,29,33,35,37,39)(H4,28,30,34,36,38,40)
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
135n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair