BDBM50323088 2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9-(2-hydroxyethyl)-9H-purine-6-carbonitrile::CHEMBL1209533
SMILES: CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2ncn(CCO)c2n1
InChI Key: InChIKey=QHQDWAPRBHWGKK-UHFFFAOYSA-N
Data: 3 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin S (Homo sapiens (Human)) | BDBM50323088![]() (2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9-(2-hydrox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 509 | n/a | n/a | 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 Lip10 accumulation by Western blotting | Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50323088![]() (2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9-(2-hydrox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 282 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin K | Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50323088![]() (2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9-(2-hydrox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin S | Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2 | |||||||||||
More data for this Ligand-Target Pair |