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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50121574'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin S


(Homo sapiens (Human))
BDBM50121574
PNG
(CHEMBL153370 | Morpholine-4-carboxylic acid [1-(cy...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCC#N
Show InChI InChI=1S/C13H22N4O3/c1-10(2)9-11(12(18)15-4-3-14)16-13(19)17-5-7-20-8-6-17/h10-11H,4-9H2,1-2H3,(H,15,18)(H,16,19)/t11-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Patents


Similars

Article
PubMed
n/an/a 124n/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