Found 2 hits in this display Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cathepsin S
(Homo sapiens (Human)) | BDBM50299185
(1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-...)Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCCCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1 Show InChI InChI=1S/C29H32Cl2N4O3S/c1-39(37,38)34-16-13-28-26(20-34)29(32-35(28)19-25(36)18-33-14-3-2-4-15-33)23-9-12-27(31)22(17-23)8-5-21-6-10-24(30)11-7-21/h6-7,9-12,17,25,36H,2-4,13-16,18-20H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay |
Bioorg Med Chem Lett 19: 6135-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50299185
(1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-...)Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCCCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1 Show InChI InChI=1S/C29H32Cl2N4O3S/c1-39(37,38)34-16-13-28-26(20-34)29(32-35(28)19-25(36)18-33-14-3-2-4-15-33)23-9-12-27(31)22(17-23)8-5-21-6-10-24(30)11-7-21/h6-7,9-12,17,25,36H,2-4,13-16,18-20H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting |
Bioorg Med Chem Lett 19: 6135-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.013
BindingDB Entry DOI: 10.7270/Q2R49QTP |
More data for this
Ligand-Target Pair | |