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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50162841   
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))
BDBM50162841
PNG
(1-(1-{(S)-3-[5-Acetyl-3-(4-trifluoromethyl-phenyl)...)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCC(CC1)n1c2cc(Cl)ccc2[nH]c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H32ClF3N6O3/c1-18(41)38-13-10-26-24(17-38)28(19-2-4-20(5-3-19)30(32,33)34)36-39(26)16-23(42)15-37-11-8-22(9-12-37)40-27-14-21(31)6-7-25(27)35-29(40)43/h2-7,14,22-23,42H,8-13,15-17H2,1H3,(H,35,43)/t23-/m0/s1
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Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair