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SMILES: C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N

InChI Key: InChIKey=MJBMGEXYVIOJMT-HOCLYGCPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121559   
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
Cathepsin S


(Homo sapiens (Human))		BDBM50121559
PNG
(CHEMBL356588 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C18H24N4O3/c1-14(20-18(24)22-9-11-25-12-10-22)17(23)21-16(13-19)8-7-15-5-3-2-4-6-15/h2-6,14,16H,7-12H2,1H3,(H,20,24)(H,21,23)/t14-,16-/m0/s1
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MMDB

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PubMed
n/an/a 1.34E+5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus

J Med Chem 45: 5471-82 (2002)


BindingDB Entry DOI: 10.7270/Q2P26XG7
More data for this
Ligand-Target Pair