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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rhodesain' and Ligand = 'BDBM50183746'   
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)
BDBM50183746
PNG
((2S,3S)-dibenzyl 1-((R)-1-(2-(tert-butoxycarbonyl)...)
Show SMILES CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C1)C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C31H37N3O8/c1-31(2,3)42-30(39)32-17-24(35)33-16-10-15-23(18-33)27(36)34-25(28(37)40-19-21-11-6-4-7-12-21)26(34)29(38)41-20-22-13-8-5-9-14-22/h4-9,11-14,23,25-26H,10,15-20H2,1-3H3,(H,32,39)/t23-,25+,26+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10E+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