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Compile Data Set for Download or QSAR

Found 2 hits from Danylo Halytsky Lviv National Medical University   
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
Cruzipain


(Trypanosoma cruzi)
BDBM50055560
PNG
(CHEMBL3329474)
Show SMILES CC1SC(N\N=C\CCCSc2ccccc2)=NC1=O
Show InChI InChI=1S/C14H17N3OS2/c1-11-13(18)16-14(20-11)17-15-9-5-6-10-19-12-7-3-2-4-8-12/h2-4,7-9,11H,5-6,10H2,1H3,(H,16,17,18)/b15-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Danylo Halytsky Lviv National Medical University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Eur J Med Chem 85: 51-64 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.092
BindingDB Entry DOI: 10.7270/Q2SJ1N9J
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50055559
PNG
(CHEMBL3329473)
Show SMILES CC1SC(N\N=C\CCSc2ccc(C)cc2)=NC1=O
Show InChI InChI=1S/C14H17N3OS2/c1-10-4-6-12(7-5-10)19-9-3-8-15-17-14-16-13(18)11(2)20-14/h4-8,11H,3,9H2,1-2H3,(H,16,17,18)/b15-8+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.04E+4n/an/an/an/an/an/a



Danylo Halytsky Lviv National Medical University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


Eur J Med Chem 85: 51-64 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.092
BindingDB Entry DOI: 10.7270/Q2SJ1N9J
More data for this
Ligand-Target Pair