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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50505566'   
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)		BDBM50505566
PNG
(CHEMBL4582558)
Show SMILES COC1=CC(=O)N([C@@H]1Cc1ccccc1)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2|
Show InChI InChI=1S/C46H58N4O7/c1-31(2)25-37(48-45(54)41(26-32(3)4)57-46(55)39(49(5)6)29-35-21-15-10-16-22-35)44(53)47-36(27-33-17-11-8-12-18-33)23-24-42(51)50-38(40(56-7)30-43(50)52)28-34-19-13-9-14-20-34/h8-24,30-32,36-39,41H,25-29H2,1-7H3,(H,47,53)(H,48,54)/b24-23+/t36-,37+,38-,39+,41+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



The University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...

J Med Chem 62: 9026-9044 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00294
BindingDB Entry DOI: 10.7270/Q2H998GC
More data for this
Ligand-Target Pair