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BDBM50121577 CHEMBL149687::Morpholine-4-carboxylic acid [1-(1-cyano-2-methyl-propylcarbamoyl)-3-methyl-butyl]-amide

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

InChI Key: InChIKey=VKLZIEYGJGCALM-UONOGXRCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121577   
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))
BDBM50121577
PNG
(CHEMBL149687 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)C(C)C
Show InChI InChI=1S/C16H28N4O3/c1-11(2)9-13(15(21)18-14(10-17)12(3)4)19-16(22)20-5-7-23-8-6-20/h11-14H,5-9H2,1-4H3,(H,18,21)(H,19,22)/t13-,14+/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.40E+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)


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