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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50042397'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Papain


(Carica papaya)		BDBM50042397
PNG
(3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamin...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O
Show InChI InChI=1S/C24H28N2O6/c1-16(2)13-20(26-24(31)32-15-18-11-7-4-8-12-18)22(28)25-19(21(27)23(29)30)14-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3,(H,25,28)(H,26,31)(H,29,30)
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PC cid
PC sid
UniChem

Similars
PubMed
 7.00E+3n/an/an/an/an/an/a6.0n/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-ketoesters towards papain at pH 6.0

J Med Chem 36: 3472-80 (1993)


BindingDB Entry DOI: 10.7270/Q2F76BK3
More data for this
Ligand-Target Pair