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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50421524'   
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)		BDBM50421524
PNG
(CHEMBL289374)
Show SMILES CN(C)c1ccc(\C=N\NC(=O)c2ccnc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H20N4O/c1-27(2)22-12-11-16(17-7-3-4-9-19(17)22)15-25-26-23(28)20-13-14-24-21-10-6-5-8-18(20)21/h3-15H,1-2H3,(H,26,28)/b25-15+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.03E+3n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi

Bioorg Med Chem Lett 12: 1537-41 (2002)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2W37XGT
More data for this
Ligand-Target Pair