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SMILES: CCOC(=O)\C=C\CN[C@@H](CCC(N)=O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)OCc1ccccc1

InChI Key: InChIKey=IIFRDHOMHUOVSD-ZWCYNDOKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50314132   
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
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50314132
PNG
((2S,5S,8S,11S,E)-1-Benzyl 16-ethyl 11-(3-amino-3-o...)
Show SMILES CCOC(=O)\C=C\CN[C@@H](CCC(N)=O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C34H51N5O8/c1-5-46-28(41)17-12-20-36-26(18-19-27(35)40)31(42)39-30(25-15-10-7-11-16-25)33(44)38-29(22(2)3)32(43)37-23(4)34(45)47-21-24-13-8-6-9-14-24/h6,8-9,12-14,17,22-23,25-26,29-30,36H,5,7,10-11,15-16,18-21H2,1-4H3,(H2,35,40)(H,37,43)(H,38,44)(H,39,42)/b17-12+/t23-,26-,29-,30-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 5.80E+3n/an/an/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain by standard fluorescence assay

J Med Chem 53: 1951-63 (2010)


Article DOI: 10.1021/jm900946n
BindingDB Entry DOI: 10.7270/Q2V9887Z
More data for this
Ligand-Target Pair