BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cysteine protease' and Ligand = 'BDBM50463143'   
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)
BDBM50463143
PNG
(CHEMBL4245127)
Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H36N2O6/c1-4-36-27(33)18-17-26(32)24(16-15-22-11-7-5-8-12-22)30-28(34)25(19-21(2)3)31-29(35)37-20-23-13-9-6-10-14-23/h5-14,17-18,21,24-25H,4,15-16,19-20H2,1-3H3,(H,30,34)(H,31,35)/b18-17+/t24-,25-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 145n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50463143
PNG
(CHEMBL4245127)
Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H36N2O6/c1-4-36-27(33)18-17-26(32)24(16-15-22-11-7-5-8-12-22)30-28(34)25(19-21(2)3)31-29(35)37-20-23-13-9-6-10-14-23/h5-14,17-18,21,24-25H,4,15-16,19-20H2,1-3H3,(H,30,34)(H,31,35)/b18-17+/t24-,25-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 145n/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