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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50108850'   
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)		BDBM50108850
PNG
(CHEMBL158567 | {1-[1-Benzyl-2-oxo-3-(3-phenyl-prop...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1cccnc1
Show InChI InChI=1S/C35H37N3O4S/c39-33(26-43-21-11-19-27-12-4-1-5-13-27)31(22-28-14-6-2-7-15-28)37-34(40)32(23-29-16-8-3-9-17-29)38-35(41)42-25-30-18-10-20-36-24-30/h1-10,12-18,20,24,31-32H,11,19,21-23,25-26H2,(H,37,40)(H,38,41)/t31-,32-/m0/s1
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PC cid
PC sid
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Similars
PubMed
 5.5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi

J Med Chem 45: 676-84 (2002)


BindingDB Entry DOI: 10.7270/Q2ZK5G0V
More data for this
Ligand-Target Pair