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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cysteine protease' and Ligand = 'BDBM50463142'   
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
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50463142
PNG
(CHEMBL4238441)
Show SMILES CCOC(=O)\C=C\C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C28H34N2O6/c1-4-35-26(32)16-15-25(31)23(17-20(2)3)29-27(33)24(18-21-11-7-5-8-12-21)30-28(34)36-19-22-13-9-6-10-14-22/h5-16,20,23-24H,4,17-19H2,1-3H3,(H,29,33)(H,30,34)/b16-15+/t23-,24+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Universitat Jaume I

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate measured for 30 mins by fluorescence method

Bioorg Med Chem 26: 4624-4634 (2018)


Article DOI: 10.1016/j.bmc.2018.07.015
BindingDB Entry DOI: 10.7270/Q29S1TPM
More data for this
Ligand-Target Pair