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

InChI Key: InChIKey=FWGAVUOEFFSTBB-UGKGYDQZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121556   
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))		BDBM50121556
PNG
(CHEMBL358704 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CC(C)C[C@](C)(NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C22H32N4O3/c1-17(2)15-22(3,25-21(28)26-11-13-29-14-12-26)20(27)24-19(16-23)10-9-18-7-5-4-6-8-18/h4-8,17,19H,9-15H2,1-3H3,(H,24,27)(H,25,28)/t19-,22-/m0/s1
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MMDB

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PubMed
n/an/a 7.60E+4n/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