BDBM50273287 2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrimidine-5-carboxylic acid (1-methyl-4-phenyl-piperidin-4-yl)-amide::CHEMBL456134
SMILES: CN1CCC(CC1)(NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N)c1ccccc1
InChI Key: InChIKey=SOHAERZROOTNSG-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)) | BDBM50273287 (2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay | Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50273287 (2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin L by fluorometric assay | Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6 | |||||||||||
More data for this Ligand-Target Pair |