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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rhodesain' and Ligand = 'BDBM50268668'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50268668
PNG
(6-(biphenyl-3-ylmethylamino)-9-(3-hydroxypropyl)-9...)
Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccccc3)nc(nc12)C#N
Show InChI InChI=1S/C22H20N6O/c23-13-19-26-21(20-22(27-19)28(15-25-20)10-5-11-29)24-14-16-6-4-9-18(12-16)17-7-2-1-3-8-17/h1-4,6-9,12,15,29H,5,10-11,14H2,(H,24,26,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair