Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM20113'   

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)	BDBM20113 (dipeptide-derived nitrile, 34 | tert-butyl N-[(1S)...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H23N3O3/c1-20(2,3)26-19(25)23-17(18(24)22-11-10-21)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12,17H,11,13H2,1-3H3,(H,22,24)(H,23,25)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	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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