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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50007623   
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)
BDBM50007623
PNG
(CHEMBL3233088)
Show SMILES Brc1cccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C17H16BrN3O2/c18-12-4-3-5-13(10-12)23-11-17(22)19-9-8-16-20-14-6-1-2-7-15(14)21-16/h1-7,10H,8-9,11H2,(H,19,22)(H,20,21)
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 800n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50007623
PNG
(CHEMBL3233088)
Show SMILES Brc1cccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C17H16BrN3O2/c18-12-4-3-5-13(10-12)23-11-17(22)19-9-8-16-20-14-6-1-2-7-15(14)21-16/h1-7,10H,8-9,11H2,(H,19,22)(H,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins


J Med Chem 57: 2380-92 (2014)


Article DOI: 10.1021/jm401709b
BindingDB Entry DOI: 10.7270/Q2GT5PPC
More data for this
Ligand-Target Pair