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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50321622   
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))
BDBM50321622
PNG
(CHEMBL1170609 | N-(2-chloro-5-(6-oxo-1-(3-(4-(2-ox...)
Show SMILES Fc1ccc(cc1)C(=O)NCc1cc(ccc1Cl)-c1ccc(=O)n(CCCN2CCC(CC2)N2CCCC2=O)n1
Show InChI InChI=1S/C30H33ClFN5O3/c31-26-9-6-22(19-23(26)20-33-30(40)21-4-7-24(32)8-5-21)27-10-11-29(39)37(34-27)16-2-14-35-17-12-25(13-18-35)36-15-1-3-28(36)38/h4-11,19,25H,1-3,12-18,20H2,(H,33,40)
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Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 4060-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.086
BindingDB Entry DOI: 10.7270/Q20Z747Q
More data for this
Ligand-Target Pair