Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 589.6 BDBM50364005

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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)	BDBM50364005 (CHEMBL1950258) Show SMILES CCOP(=O)(CC=C(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)c1ccccc1)OCC |r,w:6.5| Show InChI InChI=1S/C32H36N3O6P/c1-3-40-42(38,41-4-2)20-19-28(25-15-9-6-10-16-25)34-31(36)30(21-26-22-33-29-18-12-11-17-27(26)29)35-32(37)39-23-24-13-7-5-8-14-24/h5-19,22,30,33H,3-4,20-21,23H2,1-2H3,(H,34,36)(H,35,37)/t30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Chemical Laboratory (CSIR-NCL) Curated by ChEMBL					Assay Description Inhibition of papaya papain using BAPNA as substrate assessed as p-nitroaniline release by spectrophotometric analysis				Bioorg Med Chem 19: 7129-35 (2011) Article DOI: 10.1016/j.bmc.2011.09.058 BindingDB Entry DOI: 10.7270/Q2KW5GGT
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