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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50042423'   
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)		BDBM50042423
PNG
(CHEMBL325401 | [1-(1-Aminooxalyl-propylcarbamoyl)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O
Show InChI InChI=1S/C19H27N3O5/c1-4-14(16(23)17(20)24)21-18(25)15(10-12(2)3)22-19(26)27-11-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H2,20,24)(H,21,25)(H,22,26)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 1.90E+5n/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