BDBM33998 arylalkyne pyrazole-based compound, 32
SMILES: OCC(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
InChI Key: InChIKey=IWTCFPKHJADUJG-UHFFFAOYSA-N
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 |
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Cathepsin S (Homo sapiens (Human)) | BDBM33998 (arylalkyne pyrazole-based compound, 32) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 220 | n/a | n/a | n/a | n/a | 5.0 | 23 |
Johnson & Johnson Pharmaceutical | Assay Description Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe... | Bioorg Med Chem Lett 19: 6131-4 (2009) Article DOI: 10.1016/j.bmcl.2009.09.014 BindingDB Entry DOI: 10.7270/Q2251GHV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |