Found 3 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)) | BDBM50322923
(6-(4-(3-(4-methylpiperazin-1-yl)propoxy)-3-(triflu...)Show SMILES CN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cccc(n2)C#N)CC1 Show InChI InChI=1S/C21H23F3N4O/c1-27-9-11-28(12-10-27)8-3-13-29-20-7-6-16(14-18(20)21(22,23)24)19-5-2-4-17(15-25)26-19/h2,4-7,14H,3,8-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 4507-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.043 BindingDB Entry DOI: 10.7270/Q2SJ1KTF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cathepsin K
(Homo sapiens (Human)) | BDBM50322923
(6-(4-(3-(4-methylpiperazin-1-yl)propoxy)-3-(triflu...)Show SMILES CN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cccc(n2)C#N)CC1 Show InChI InChI=1S/C21H23F3N4O/c1-27-9-11-28(12-10-27)8-3-13-29-20-7-6-16(14-18(20)21(22,23)24)19-5-2-4-17(15-25)26-19/h2,4-7,14H,3,8-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 4507-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.043 BindingDB Entry DOI: 10.7270/Q2SJ1KTF |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50322923
(6-(4-(3-(4-methylpiperazin-1-yl)propoxy)-3-(triflu...)Show SMILES CN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cccc(n2)C#N)CC1 Show InChI InChI=1S/C21H23F3N4O/c1-27-9-11-28(12-10-27)8-3-13-29-20-7-6-16(14-18(20)21(22,23)24)19-5-2-4-17(15-25)26-19/h2,4-7,14H,3,8-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 138 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of cathepsin S in human JY cells assessed as induction of accumulation of lip10 |
Bioorg Med Chem Lett 20: 4507-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.043 BindingDB Entry DOI: 10.7270/Q2SJ1KTF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |