BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50208851   
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))
BDBM50208851
PNG
((R)-N-(4-cyano-1-methylpiperidin-4-yl)-2-(cyclohex...)
Show SMILES CN1CCC(CC1)(NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C22H36N4O3/c1-25-9-7-22(17-23,8-10-25)24-21(28)19(15-18-5-3-2-4-6-18)16-20(27)26-11-13-29-14-12-26/h18-19H,2-16H2,1H3,(H,24,28)/t19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 251n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 17: 2465-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.046
BindingDB Entry DOI: 10.7270/Q24X57G7
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50208851
PNG
((R)-N-(4-cyano-1-methylpiperidin-4-yl)-2-(cyclohex...)
Show SMILES CN1CCC(CC1)(NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C22H36N4O3/c1-25-9-7-22(17-23,8-10-25)24-21(28)19(15-18-5-3-2-4-6-18)16-20(27)26-11-13-29-14-12-26/h18-19H,2-16H2,1H3,(H,24,28)/t19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 177n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 17: 2465-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.046
BindingDB Entry DOI: 10.7270/Q24X57G7
More data for this
Ligand-Target Pair