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BDBM50183766 (2S,3S)-dibenzyl 1-((S)-1-(2-(tert-butoxycarbonyl)acetyl)piperidine-6-carbonyl)aziridine-2,3-dicarboxylate::CHEMBL377676

SMILES: CC(C)(C)OC(=O)NCC(=O)N1CCCC[C@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

InChI Key: InChIKey=ARXWKFTWEMHOTO-RNXOBYDBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50183766   
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
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50183766
PNG
((2S,3S)-dibenzyl 1-((S)-1-(2-(tert-butoxycarbonyl)...)
Show SMILES CC(C)(C)OC(=O)NCC(=O)N1CCCC[C@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C31H37N3O8/c1-31(2,3)42-30(39)32-18-24(35)33-17-11-10-16-23(33)27(36)34-25(28(37)40-19-21-12-6-4-7-13-21)26(34)29(38)41-20-22-14-8-5-9-15-22/h4-9,12-15,23,25-26H,10-11,16-20H2,1-3H3,(H,32,39)/t23-,25-,26-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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