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BDBM50105141 CHEMBL542698::N2-(3-((12-((3-((4,6-Di(methylamino)-1,3,5-triazin-2-yl)amino)propyl)amino)dodecyl)amino)-propyl)N4,N6-dimethyl-1,3,5-triazine-4,2,6-triamine pentaahydrochloride

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

InChI Key: InChIKey=JFIQFHDKIUYUKB-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 = 50105141   
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)
BDBM50105141
PNG
(CHEMBL542698 | N2-(3-((12-((3-((4,6-Di(methylamino...)
Show SMILES CNc1nc(NC)nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(NC)nc(NC)n2)n1
Show InChI InChI=1S/C28H56N14/c1-29-23-37-24(30-2)40-27(39-23)35-21-15-19-33-17-13-11-9-7-5-6-8-10-12-14-18-34-20-16-22-36-28-41-25(31-3)38-26(32-4)42-28/h33-34H,5-22H2,1-4H3,(H3,29,30,35,37,39,40)(H3,31,32,36,38,41,42)
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20E+3n/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