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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50183757'   
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)		BDBM50183757
PNG
((2S,3S)-dibenzyl 1-((S)-1-((R)-2-(tert-butoxycarbo...)
Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H43N3O8/c1-22(2)19-25(35-33(42)45-34(3,4)5)29(38)36-18-12-17-26(36)30(39)37-27(31(40)43-20-23-13-8-6-9-14-23)28(37)32(41)44-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-28H,12,17-21H2,1-5H3,(H,35,42)/t25-,26+,27+,28+/m1/s1
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PC cid
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Similars
Article
PubMed
 790n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universit£t Mainz

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-AMC as substrate by fluorometric assay

Eur J Med Chem 156: 587-597 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.012
BindingDB Entry DOI: 10.7270/Q2CN76MS
More data for this
Ligand-Target Pair