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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50008216   
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
Cruzipain


(Trypanosoma cruzi)
BDBM50516805
PNG
(CHEMBL3785388)
Show SMILES Cc1ccc(C)c(SC\C=N\NC(N)=S)c1
Show InChI InChI=1S/C11H15N3S2/c1-8-3-4-9(2)10(7-8)16-6-5-13-14-11(12)15/h3-5,7H,6H2,1-2H3,(H3,12,14,15)/b13-5+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Universidade de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition and measured for 5 mins b...


Eur J Med Chem 180: 191-203 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.018
BindingDB Entry DOI: 10.7270/Q2M90D1Q
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50516806
PNG
(CHEMBL3787052)
Show SMILES NC(=S)N\N=C\CSc1cccc(Cl)c1
Show InChI InChI=1S/C9H10ClN3S2/c10-7-2-1-3-8(6-7)15-5-4-12-13-9(11)14/h1-4,6H,5H2,(H3,11,13,14)/b12-4+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Universidade de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition and measured for 5 mins b...


Eur J Med Chem 180: 191-203 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.018
BindingDB Entry DOI: 10.7270/Q2M90D1Q
More data for this
Ligand-Target Pair