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)) | BDBM50314165
(1-(1-(3-(3-(3-(2-(4-hydroxypiperidin-1-yl)ethylthi...)Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCC(O)CC2)c1)C(F)(F)F Show InChI InChI=1S/C33H47F3N6O4S2/c1-48(45,46)40-19-11-29-27(23-40)32(37-42(29)14-3-12-38-15-7-25(8-16-38)41-13-2-4-31(41)44)24-5-6-28(33(34,35)36)30(22-24)47-21-20-39-17-9-26(43)10-18-39/h5-6,22,25-26,43H,2-4,7-21,23H2,1H3 | 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 human cathepsin S |
Bioorg Med Chem Lett 20: 2370-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.108 BindingDB Entry DOI: 10.7270/Q2G160Z4 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50314165
(1-(1-(3-(3-(3-(2-(4-hydroxypiperidin-1-yl)ethylthi...)Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCC(O)CC2)c1)C(F)(F)F Show InChI InChI=1S/C33H47F3N6O4S2/c1-48(45,46)40-19-11-29-27(23-40)32(37-42(29)14-3-12-38-15-7-25(8-16-38)41-13-2-4-31(41)44)24-5-6-28(33(34,35)36)30(22-24)47-21-20-39-17-9-26(43)10-18-39/h5-6,22,25-26,43H,2-4,7-21,23H2,1H3 | 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 | 350 | 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 inhibition of invariant chain degradation |
Bioorg Med Chem Lett 20: 2370-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.108 BindingDB Entry DOI: 10.7270/Q2G160Z4 |
More data for this Ligand-Target Pair | |