BDBM50322919 4-(4-(3-(4-methylpiperazin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile::CHEMBL1209146
SMILES: CN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2ccnc(n2)C#N)CC1
InChI Key: InChIKey=LZLJBBHMBQJUSF-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 K (Homo sapiens (Human)) | BDBM50322919 (4-(4-(3-(4-methylpiperazin-1-yl)propoxy)-3-(triflu...) | 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 | 13 | 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)) | BDBM50322919 (4-(4-(3-(4-methylpiperazin-1-yl)propoxy)-3-(triflu...) | 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 | 1.30 | 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 |