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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rhodesain' and Ligand = 'BDBM50183772'   
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)
BDBM50183772
PNG
((2S,3S)-diethyl 1-((S)-1-((S)-2-(tert-butoxycarbon...)
Show SMILES CCOC(=O)[C@@H]1[C@H](N1C(=O)[C@H]1CCCN(C1)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)OCC
Show InChI InChI=1S/C25H41N3O8/c1-8-34-22(31)18-19(23(32)35-9-2)28(18)20(29)16-11-10-12-27(14-16)21(30)17(13-15(3)4)26-24(33)36-25(5,6)7/h15-19H,8-14H2,1-7H3,(H,26,33)/t16-,17-,18-,19-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain


Bioorg Med Chem Lett 16: 2753-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.026
BindingDB Entry DOI: 10.7270/Q2PK0FRX
More data for this
Ligand-Target Pair