Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50451626'   

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)	BDBM50451626 (CHEMBL4208600) Show SMILES CNC(=O)\C=C\C1(CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C24H27N3O4/c1-25-21(28)12-13-24(14-15-24)27-22(29)20(16-18-8-4-2-5-9-18)26-23(30)31-17-19-10-6-3-7-11-19/h2-13,20H,14-17H2,1H3,(H,25,28)(H,26,30)(H,27,29)/b13-12+/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.98E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of Trypanosoma cruzi cruzipain using Z-Phe-Arg-7-amidomethylcoumarin as substrate measured after 5 mins by fluorometric analysis				Citation and Details Article DOI: 10.1039/d0md00097c BindingDB Entry DOI: 10.7270/Q2DJ5K9T
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Cruzipain (Trypanosoma cruzi)	BDBM50451626 (CHEMBL4208600) Show SMILES CNC(=O)\C=C\C1(CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C24H27N3O4/c1-25-21(28)12-13-24(14-15-24)27-22(29)20(16-18-8-4-2-5-9-18)26-23(30)31-17-19-10-6-3-7-11-19/h2-13,20H,14-17H2,1H3,(H,25,28)(H,26,30)(H,27,29)/b13-12+/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.98E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method				Bioorg Med Chem Lett 27: 5031-5035 (2017) Article DOI: 10.1016/j.bmcl.2017.10.002 BindingDB Entry DOI: 10.7270/Q2125W7D
					More data for this Ligand-Target Pair