BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50221220   
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))
BDBM50221220
PNG
(1-(4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2ccncc12)-c1ccc(Br)cc1
Show InChI InChI=1/C28H33BrN6O3S/c1-39(37,38)34-13-9-27-25(18-34)28(20-2-4-21(29)5-3-20)32-35(27)17-22(36)16-33-11-7-19(8-12-33)23-15-31-26-6-10-30-14-24(23)26/h2-6,10,14-15,19,22,31,36H,7-9,11-13,16-18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 77n/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 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50221220
PNG
(1-(4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2ccncc12)-c1ccc(Br)cc1
Show InChI InChI=1/C28H33BrN6O3S/c1-39(37,38)34-13-9-27-25(18-34)28(20-2-4-21(29)5-3-20)32-35(27)17-22(36)16-33-11-7-19(8-12-33)23-15-31-26-6-10-30-14-24(23)26/h2-6,10,14-15,19,22,31,36H,7-9,11-13,16-18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells by invariant chain degradation assay


Bioorg Med Chem Lett 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair