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BDBM50105144 CHEMBL543884::N1,N9-Di(3-(di((4,6-diamino-1,3,5-triazin-2-yl)methyl)amino)propyl)-1,9nonanediamine Heptachloride

SMILES: Nc1nc(N)nc(CN(CCCNCCCCCCCCCNCCCN(Cc2nc(N)nc(N)n2)Cc2nc(N)nc(N)n2)Cc2nc(N)nc(N)n2)n1

InChI Key: InChIKey=AEKPXOHWOUMIOZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50105144   
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)
BDBM50105144
PNG
(CHEMBL543884 | N1,N9-Di(3-(di((4,6-diamino-1,3,5-t...)
Show SMILES Nc1nc(N)nc(CN(CCCNCCCCCCCCCNCCCN(Cc2nc(N)nc(N)n2)Cc2nc(N)nc(N)n2)Cc2nc(N)nc(N)n2)n1
Show InChI InChI=1S/C31H56N24/c32-24-42-20(43-25(33)50-24)16-54(17-21-44-26(34)51-27(35)45-21)14-8-12-40-10-6-4-2-1-3-5-7-11-41-13-9-15-55(18-22-46-28(36)52-29(37)47-22)19-23-48-30(38)53-31(39)49-23/h40-41H,1-19H2,(H4,32,33,42,43,50)(H4,34,35,44,45,51)(H4,36,37,46,47,52)(H4,38,39,48,49,53)
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.20E+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