Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50265074'   

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)	BDBM50265074 (CHEMBL525792 | Cbz-Phe-[Gly-cis epoxy-Gly]-Ala-Ala...) Show SMILES COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@H]1O[C@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H36N4O8/c1-18(26(35)32-19(2)28(37)39-3)31-25(34)15-23-24(41-23)16-30-27(36)22(14-20-10-6-4-7-11-20)33-29(38)40-17-21-12-8-5-9-13-21/h4-13,18-19,22-24H,14-17H2,1-3H3,(H,30,36)(H,31,34)(H,32,35)(H,33,38)/t18-,19-,22-,23+,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Binding affinity to Carica papaya papain treated up to 2 hrs at 25 degC by Dixon plot				Bioorg Med Chem 16: 9032-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.031 BindingDB Entry DOI: 10.7270/Q2XP74SH
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