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SMILES: Clc1ccc2c(NCCCCNc3c(NCCCCNc4ccnc5cc(Cl)ccc45)c(=O)c3=O)ccnc2c1

InChI Key: InChIKey=FSVYXYNWPRBIEB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50441677   
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)		BDBM50441677
PNG
(CHEMBL2435702)
Show SMILES Clc1ccc2c(NCCCCNc3c(NCCCCNc4ccnc5cc(Cl)ccc45)c(=O)c3=O)ccnc2c1
Show InChI InChI=1S/C30H30Cl2N6O2/c31-19-5-7-21-23(9-15-35-25(21)17-19)33-11-1-3-13-37-27-28(30(40)29(27)39)38-14-4-2-12-34-24-10-16-36-26-18-20(32)6-8-22(24)26/h5-10,15-18,37-38H,1-4,11-14H2,(H,33,35)(H,34,36)
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Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Lisbon. Av. Prof. Gama Pinto

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Leu-Leu-Arg-AMC as substrate after 30 mins by fluorescence microplate reader analysis

Eur J Med Chem 69: 365-72 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.037
BindingDB Entry DOI: 10.7270/Q2CN75BS
More data for this
Ligand-Target Pair