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BDBM50121555 CHEMBL434893::Morpholine-4-carboxylic acid [3-methyl-1-(3-phenyl-propylcarbamoyl)-butyl]-amide

SMILES: CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCCCc1ccccc1

InChI Key: InChIKey=LOOQRWJXBHMFCJ-SFHVURJKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121555   
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))
BDBM50121555
PNG
(CHEMBL434893 | Morpholine-4-carboxylic acid [3-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C20H31N3O3/c1-16(2)15-18(22-20(25)23-11-13-26-14-12-23)19(24)21-10-6-9-17-7-4-3-5-8-17/h3-5,7-8,16,18H,6,9-15H2,1-2H3,(H,21,24)(H,22,25)/t18-/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a>2.80E+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)


Article DOI: 10.1021/jm020209i
BindingDB Entry DOI: 10.7270/Q2P26XG7
More data for this
Ligand-Target Pair