Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM20126'   

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)	BDBM20126 (phenylalanine derived propargyl, 54 | tert-butyl N...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C |r| Show InChI InChI=1S/C17H22N2O3/c1-5-11-18-15(20)14(12-13-9-7-6-8-10-13)19-16(21)22-17(2,3)4/h1,6-10,14H,11-12H2,2-4H3,(H,18,20)(H,19,21)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.97E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...				J Med Chem 48: 7688-707 (2005) Article DOI: 10.1021/jm050686b BindingDB Entry DOI: 10.7270/Q2GB22BG
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