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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50364010'   
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)		BDBM50364010
PNG
(CHEMBL1950263)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6]=[#7]-[#7]-[#6](-[#7])=O |r,w:39.41|
Show InChI InChI=1S/C30H43N9O5/c1-3-20(2)25(27(41)36-23(18-35-39-29(33)42)17-21-11-6-4-7-12-21)38-26(40)24(15-10-16-34-28(31)32)37-30(43)44-19-22-13-8-5-9-14-22/h4-9,11-14,18,20,23-25H,3,10,15-17,19H2,1-2H3,(H,36,41)(H,37,43)(H,38,40)(H4,31,32,34)(H3,33,39,42)/t20-,23-,24-,25-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 23n/an/an/an/an/an/an/an/a



National Chemical Laboratory (CSIR-NCL)

Curated by ChEMBL


Assay Description
Inhibition of papaya papain

Bioorg Med Chem 19: 7129-35 (2011)


Article DOI: 10.1016/j.bmc.2011.09.058
BindingDB Entry DOI: 10.7270/Q2KW5GGT
More data for this
Ligand-Target Pair