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SMILES: COc1ccc2c(CCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1

InChI Key: InChIKey=RQCRBWAUQJERJU-QFIPXVFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 210852   
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
Procathepsin L


(Homo sapiens (Human))		BDBM210852
PNG
(US9290467, 22)
Show SMILES COc1ccc2c(CCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r|
Show InChI InChI=1S/C26H28ClN3O4/c1-33-19-7-8-20-18(15-19)5-3-2-4-12-34-23-9-6-17(13-21(23)27)14-22(29-24(20)31)25(32)30-26(16-28)10-11-26/h6-9,13,15,22H,2-5,10-12,14H2,1H3,(H,29,31)(H,30,32)/t22-/m0/s1
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US Patent
n/an/a 118n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair