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SMILES: Clc1ccc2c(NCCNc3c(NCCNc4ccnc5cc(Cl)ccc45)c(=O)c3=O)ccnc2c1

InChI Key: InChIKey=CUGRVLOBVZKQTL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50441679   
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)		BDBM50441679
PNG
(CHEMBL2435700)
Show SMILES Clc1ccc2c(NCCNc3c(NCCNc4ccnc5cc(Cl)ccc45)c(=O)c3=O)ccnc2c1
Show InChI InChI=1S/C26H22Cl2N6O2/c27-15-1-3-17-19(5-7-29-21(17)13-15)31-9-11-33-23-24(26(36)25(23)35)34-12-10-32-20-6-8-30-22-14-16(28)2-4-18(20)22/h1-8,13-14,33-34H,9-12H2,(H,29,31)(H,30,32)
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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