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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50314217'   
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))
BDBM50314217
PNG
(2-amino-1-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylth...)
Show SMILES NCC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C30H42F4N6O2S/c31-22-6-11-37(12-7-22)14-15-43-27-16-21(4-5-25(27)30(32,33)34)29-24-20-39(28(42)17-35)13-8-26(24)40(36-29)19-23(41)18-38-9-2-1-3-10-38/h4-5,16,22-23,41H,1-3,6-15,17-20,35H2
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Similars

Article
PubMed
n/an/a 810n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair