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BDBM50105143 CHEMBL544116::N2-(3-((9-((3-((4,6-Di(dimethylamino)-1,3,5-triazin-2-yl)amino)propyl)amino)nonyl)amino)-propyl)N4,N4,N6,N6-tetramethyl-1,3,5-triazine-4,2,6-triamine pentaahydrochloride

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

InChI Key: InChIKey=WFJPOGRGTXDOMH-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50105143   
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)
BDBM50105143
PNG
(CHEMBL544116 | N2-(3-((9-((3-((4,6-Di(dimethylamin...)
Show SMILES CN(C)c1nc(NCCCNCCCCCCCCCNCCCNc2nc(nc(n2)N(C)C)N(C)C)nc(n1)N(C)C
Show InChI InChI=1S/C29H58N14/c1-40(2)26-34-24(35-27(38-26)41(3)4)32-22-16-20-30-18-14-12-10-9-11-13-15-19-31-21-17-23-33-25-36-28(42(5)6)39-29(37-25)43(7)8/h30-31H,9-23H2,1-8H3,(H,32,34,35,38)(H,33,36,37,39)
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90E+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