BindingDB logo
myBDB logout

BDBM50105121 CHEMBL542204::N2-(3-((9-((3-((4-Amino-6-(methylamino)-1,3,5-triazin-2-yl)amino)propyl)amino)nonyl)amino)-propyl)N4-methyl-1,3,5-triazine-4,2,6-triamine Tetrahydrochloride

SMILES: CNc1nc(N)nc(NCCCNCCCCCCCCCNCCCNc2nc(N)nc(NC)n2)n1

InChI Key: InChIKey=FKFUZGQMFWFDPA-UHFFFAOYSA-N

Data: 1 KI

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 = 50105121   
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)
BDBM50105121
PNG
(CHEMBL542204 | N2-(3-((9-((3-((4-Amino-6-(methylam...)
Show SMILES CNc1nc(N)nc(NCCCNCCCCCCCCCNCCCNc2nc(N)nc(NC)n2)n1
Show InChI InChI=1S/C23H46N14/c1-26-20-32-18(24)34-22(36-20)30-16-10-14-28-12-8-6-4-3-5-7-9-13-29-15-11-17-31-23-35-19(25)33-21(27-2)37-23/h28-29H,3-17H2,1-2H3,(H4,24,26,30,32,34,36)(H4,25,27,31,33,35,37)
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
750n/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