Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50441678'   

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
Papain (Carica papaya)	BDBM50441678 (CHEMBL2435701) Show SMILES Clc1ccc2c(NCCCNc3c(NCCCNc4ccnc5cc(Cl)ccc45)c(=O)c3=O)ccnc2c1 Show InChI InChI=1S/C28H26Cl2N6O2/c29-17-3-5-19-21(7-13-33-23(19)15-17)31-9-1-11-35-25-26(28(38)27(25)37)36-12-2-10-32-22-8-14-34-24-16-18(30)4-6-20(22)24/h3-8,13-16,35-36H,1-2,9-12H2,(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon. Av. Prof. Gama Pinto Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Leu-Leu-Arg-AMC as substrate after 30 mins by fluorescence microplate reader analysis				Eur J Med Chem 69: 365-72 (2013) Article DOI: 10.1016/j.ejmech.2013.08.037 BindingDB Entry DOI: 10.7270/Q2CN75BS
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