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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50502829'   
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)		BDBM50502829
PNG
(CHEMBL4586752)
Show SMILES FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C26H24F3N3O/c27-26(28,29)24(21-14-8-3-9-15-21)32-23(17-20-12-6-2-7-13-20)25(33)31-22(18-30)16-19-10-4-1-5-11-19/h1-15,22-24,32H,16-17H2,(H,31,33)/t22-,23+,24+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
 2.51E+3n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115083
BindingDB Entry DOI: 10.7270/Q29P34WR
More data for this
Ligand-Target Pair