BDBM50306311 (S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-((S)-2,2,2-trifluoro-1-(4-(quinolin-6-yl)phenyl)ethylamino)pentanamide::CHEMBL605341
SMILES: CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc2ncccc2c1)C(F)(F)F)C(=O)NC1(CC1)C#N
InChI Key: InChIKey=FFCGDWHJQULLBQ-GOTSBHOMSA-N
Data: 1 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)) | BDBM50306311 ((S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-((S...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of humanized rabbit cathepsin K | Bioorg Med Chem Lett 20: 887-92 (2010) Article DOI: 10.1016/j.bmcl.2009.12.083 BindingDB Entry DOI: 10.7270/Q27D2V75 | |||||||||||
More data for this Ligand-Target Pair |