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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50299183   
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))
BDBM50299183
PNG
(CHEMBL573197 | tert-butyl 4-(3-(3-(4-chloro-3-((4-...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC(O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C33H39Cl2N5O5S/c1-33(2,3)45-32(42)38-17-15-37(16-18-38)20-27(41)21-40-30-13-14-39(46(4,43)44)22-28(30)31(36-40)25-9-12-29(35)24(19-25)8-5-23-6-10-26(34)11-7-23/h6-7,9-12,19,27,41H,13-18,20-22H2,1-4H3
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Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay


Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50299183
PNG
(CHEMBL573197 | tert-butyl 4-(3-(3-(4-chloro-3-((4-...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC(O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C33H39Cl2N5O5S/c1-33(2,3)45-32(42)38-17-15-37(16-18-38)20-27(41)21-40-30-13-14-39(46(4,43)44)22-28(30)31(36-40)25-9-12-29(35)24(19-25)8-5-23-6-10-26(34)11-7-23/h6-7,9-12,19,27,41H,13-18,20-22H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting


Bioorg Med Chem Lett 19: 6135-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP
More data for this
Ligand-Target Pair