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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rhodesain' and Ligand = 'BDBM50258405'   
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)
BDBM50258405
PNG
(6-((3',4'-dichlorobiphenyl-3-yl)methylamino)-9-(3-...)
Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(Cl)c(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C22H18Cl2N6O/c23-17-6-5-16(10-18(17)24)15-4-1-3-14(9-15)12-26-21-20-22(29-19(11-25)28-21)30(13-27-20)7-2-8-31/h1,3-6,9-10,13,31H,2,7-8,12H2,(H,26,28,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/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