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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Monomerid = 50161334   
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)
BDBM50161334
PNG
(N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-2-oxa-...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1OCC2[C@H]1C(=O)CN2C(=O)c1ccccc1
Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-21(28-25(33)18-10-12-20(13-11-18)29(3)4)27(35)31-24-22(16-36-31)30(15-23(24)32)26(34)19-8-6-5-7-9-19/h5-13,17,21-22,24H,14-16H2,1-4H3,(H,28,33)/t21-,22?,24-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited, Inc

Curated by ChEMBL


Assay Description
Binding affinity against cruzaine


Bioorg Med Chem Lett 15: 1327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX
More data for this
Ligand-Target Pair