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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin E' and Ligand = 'BDBM50045683'   
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
Cathepsin E


(Homo sapiens (Human))		BDBM50045683
PNG
(4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...)
Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1
PDB

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PC sid
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Similars
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Selectivity against human cathepsin E

J Med Chem 36: 2788-800 (1993)


BindingDB Entry DOI: 10.7270/Q24J0D61
More data for this
Ligand-Target Pair