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

InChI Key: InChIKey=KLNHRDVDAQJAGQ-ROUUACIJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121567   
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))		BDBM50121567
PNG
(CHEMBL357816 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C20H28N4O3/c1-15(2)18(23-20(26)24-10-12-27-13-11-24)19(25)22-17(14-21)9-8-16-6-4-3-5-7-16/h3-7,15,17-18H,8-13H2,1-2H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1
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MMDB

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PubMed
n/an/a 6.00E+3n/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