Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM20095'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cruzipain (Trypanosoma cruzi)	BDBM20095 (dipeptide-derived nitrile, 16 | tert-butyl N-[(1S)...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C16H21N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h4-8,13H,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substra...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115743 BindingDB Entry DOI: 10.7270/Q27H1P7R
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