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BDBM50105119 CHEMBL539797::N2-(3-((9-((3-((4-Amino-6-(methylamino)-1,3,5-triazin-2-yl)amino)propyl)amino)nonyl)amino)-propyl)N4,N4-dimethyl-1,3,5-triazine-4,2,6-triamine Tetrahydrochloride

SMILES: CN(C)c1nc(N)nc(NCCCNCCCCCCCCCNCCCNc2nc(N)nc(n2)N(C)C)n1

InChI Key: InChIKey=WPCUZFPPKCZWOH-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50105119   
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)
BDBM50105119
PNG
(CHEMBL539797 | N2-(3-((9-((3-((4-Amino-6-(methylam...)
Show SMILES CN(C)c1nc(N)nc(NCCCNCCCCCCCCCNCCCNc2nc(N)nc(n2)N(C)C)n1
Show InChI InChI=1S/C25H50N14/c1-38(2)24-34-20(26)32-22(36-24)30-18-12-16-28-14-10-8-6-5-7-9-11-15-29-17-13-19-31-23-33-21(27)35-25(37-23)39(3)4/h28-29H,5-19H2,1-4H3,(H3,26,30,32,34,36)(H3,27,31,33,35,37)
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+4n/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