Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50048077'   

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)	BDBM50048077 (CHEMBL3357470) Show SMILES [N-]=[N+]=NCc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C19H18N6O2/c20-10-11-22-19(27)17(12-14-4-2-1-3-5-14)24-18(26)16-8-6-15(7-9-16)13-23-25-21/h1-9,17H,11-13H2,(H,22,27)(H,24,26)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	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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