BDBM50152992 1-[1-(3-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1-yl}-2-hydroxy-propyl)-3-(4-chloro-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone::CHEMBL180232
SMILES: CC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)-c1ccc(Cl)cc1
InChI Key: InChIKey=JOMUOBXQCQBUHB-UHFFFAOYSA-N
Data: 2 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)) | BDBM50152992![]() (1-[1-(3-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazi...) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description Inhibitory concentration against cathepsin S | Bioorg Med Chem Lett 15: 1687-91 (2005) Article DOI: 10.1016/j.bmcl.2005.01.045 BindingDB Entry DOI: 10.7270/Q2HM57ZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50152992![]() (1-[1-(3-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazi...) | 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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL | Assay Description Inhibitory concentration against human cysteine protease cathepsin S | J Med Chem 47: 4799-801 (2004) Article DOI: 10.1021/jm0496133 BindingDB Entry DOI: 10.7270/Q28P6008 | |||||||||||
More data for this Ligand-Target Pair |