Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50441681'   

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)	BDBM50441681 (CHEMBL2435697) Show SMILES CCCCOc1c(NCCCNc2ccnc3cc(Cl)ccc23)c(=O)c1=O Show InChI InChI=1S/C20H22ClN3O3/c1-2-3-11-27-20-17(18(25)19(20)26)24-9-4-8-22-15-7-10-23-16-12-13(21)5-6-14(15)16/h5-7,10,12,24H,2-4,8-9,11H2,1H3,(H,22,23)	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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