Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50048075'   

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)	BDBM50048075 (CHEMBL3357469) Show SMILES CCCC[C@H](NC(=O)c1ccc(CN=[N+]=[N-])cc1)C(=O)NCC#N |r| Show InChI InChI=1S/C16H20N6O2/c1-2-3-4-14(16(24)19-10-9-17)21-15(23)13-7-5-12(6-8-13)11-20-22-18/h5-8,14H,2-4,10-11H2,1H3,(H,19,24)(H,21,23)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
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