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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50186711   
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))
BDBM50186711
PNG
(CHEMBL437115 | Cbz-Ile-iPrGln-Ala-LeuVSMe)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)NC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O
Show InChI InChI=1S/C33H53N5O8S/c1-9-23(6)29(38-33(43)46-20-25-13-11-10-12-14-25)32(42)37-27(15-16-28(39)34-22(4)5)31(41)35-24(7)30(40)36-26(19-21(2)3)17-18-47(8,44)45/h10-14,17-18,21-24,26-27,29H,9,15-16,19-20H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,42)(H,38,43)/t23-,24-,26+,27-,29-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S


J Med Chem 49: 2953-68 (2006)


Article DOI: 10.1021/jm058289o
BindingDB Entry DOI: 10.7270/Q2FF3S0S
More data for this
Ligand-Target Pair