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)) | BDBM50314258
(1-(1-(3-(3-(3-(2-(4-(hydroxymethyl)piperidin-1-yl)...)Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCC(=O)N2CCC(CO)CC2)c1)C(F)(F)F Show InChI InChI=1S/C34H47F3N6O5S2/c1-50(47,48)41-19-11-29-27(21-41)33(38-43(29)14-3-12-39-15-9-26(10-16-39)42-13-2-4-31(42)45)25-5-6-28(34(35,36)37)30(20-25)49-23-32(46)40-17-7-24(22-44)8-18-40/h5-6,20,24,26,44H,2-4,7-19,21-23H2,1H3 | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus expression sytem after 15 mins by FRET assay |
Bioorg Med Chem Lett 20: 2379-82 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.103
BindingDB Entry DOI: 10.7270/Q22V2G7J |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50314258
(1-(1-(3-(3-(3-(2-(4-(hydroxymethyl)piperidin-1-yl)...)Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCC(=O)N2CCC(CO)CC2)c1)C(F)(F)F Show InChI InChI=1S/C34H47F3N6O5S2/c1-50(47,48)41-19-11-29-27(21-41)33(38-43(29)14-3-12-39-15-9-26(10-16-39)42-13-2-4-31(42)45)25-5-6-28(34(35,36)37)30(20-25)49-23-32(46)40-17-7-24(22-44)8-18-40/h5-6,20,24,26,44H,2-4,7-19,21-23H2,1H3 | 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 | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S in human JY cells assessed as accumulation of invariant chain p10li after 24 hrs by Western blot analysis |
Bioorg Med Chem Lett 20: 2379-82 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.103
BindingDB Entry DOI: 10.7270/Q22V2G7J |
More data for this
Ligand-Target Pair | |