BDBM50263554 2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)ethoxy)-6-(spiro[3.5]nonan-7-ylmethylamino)pyrimidine-5-carboxamide::CHEMBL478011
SMILES: CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N
InChI Key: InChIKey=CKWQDBSKPNIZBB-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50263554 (2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)etho...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Displacement of [3H]dofetilide from human ERG in HEK293 cells | Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50263554 (2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)etho...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 440 | 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: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50263554 (2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)etho...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4 | 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: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6 | |||||||||||
More data for this Ligand-Target Pair |