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BDBM50364008 CHEMBL1950261

SMILES: CCOP(=O)(CC=C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1)OCC

InChI Key: InChIKey=LMWHBDHAJVKOAK-ACHIHNKUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50364008   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Papain


(Carica papaya)		BDBM50364008
PNG
(CHEMBL1950261)
Show SMILES CCOP(=O)(CC=C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1)OCC |r,w:6.5|
Show InChI InChI=1S/C36H46N3O7P/c1-6-44-47(43,45-7-2)24-23-30(29-21-15-10-16-22-29)37-33(40)31(25-27-17-11-8-12-18-27)38-34(41)32(26-28-19-13-9-14-20-28)39-35(42)46-36(3,4)5/h8-23,31-32H,6-7,24-26H2,1-5H3,(H,37,40)(H,38,41)(H,39,42)/t31-,32-/m0/s1
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PC cid
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Similars
Article
PubMed
n/an/a 8.30E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair