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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cysteine protease' and Ligand = 'BDBM50574823'   
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)
BDBM50574823
PNG
(CHEMBL4877627)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)c1 |r|
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured using Dixon equation by fluorometric ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01002
BindingDB Entry DOI: 10.7270/Q2CC14G4
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50574823
PNG
(CHEMBL4877627)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)c1 |r|
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
152n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured at second inhibition step by fluorome...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01002
BindingDB Entry DOI: 10.7270/Q2CC14G4
More data for this
Ligand-Target Pair