Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50107007'   

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)	BDBM50107007 (Acetic acid 2-acetyl-6-methoxy-3-methyl-5,8-dioxo-...) Show SMILES COC1=CC(=O)c2c(OC(C)=O)c(C(C)=O)c(C)cc2C1=O |t:2| Show InChI InChI=1S/C16H14O6/c1-7-5-10-14(11(19)6-12(21-4)15(10)20)16(22-9(3)18)13(7)8(2)17/h5-6H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against papain using HPLC assay				Bioorg Med Chem Lett 11: 3143-6 (2001) BindingDB Entry DOI: 10.7270/Q2T43SDG
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