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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50366498'   
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)		BDBM50366498
PNG
(CHEMBL1790165)
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]-[#6]=O)-[#6]-c1ccccc1
Show InChI InChI=1S/C30H42N6O5/c1-3-21(2)26(28(39)34-24(16-18-37)19-22-11-6-4-7-12-22)36-27(38)25(15-10-17-33-29(31)32)35-30(40)41-20-23-13-8-5-9-14-23/h4-9,11-14,18,21,24-26H,3,10,15-17,19-20H2,1-2H3,(H,34,39)(H,35,40)(H,36,38)(H4,31,32,33)/t21-,24+,25-,26-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 6.50E+4n/an/an/an/an/an/a



Institute for Drug Research

Curated by ChEMBL


Assay Description
Ability to inhibit papain was evaluated by amidolytic method using fluorogenic or chromogenic substrates

Bioorg Med Chem Lett 8: 1477-82 (1999)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GB24KF
More data for this
Ligand-Target Pair