BDBM19815 (2S)-2-(1-benzothiophen-2-ylformamido)-4-methyl-N-(3-oxooxan-4-yl)pentanamide::4-amidotetrahydropyran-3-one, 39::CHEMBL305084
SMILES: CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1CCOCC1=O
InChI Key: InChIKey=SOSDZLZCZHXALY-LOACHALJSA-N
Data: 3 KI
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)) | BDBM19815 ((2S)-2-(1-benzothiophen-2-ylformamido)-4-methyl-N-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of cathepsin K | Bioorg Med Chem Lett 11: 199-202 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DMJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19815 ((2S)-2-(1-benzothiophen-2-ylformamido)-4-methyl-N-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11 | -10.7 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK | Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... | J Med Chem 44: 725-36 (2001) Article DOI: 10.1021/jm000320t BindingDB Entry DOI: 10.7270/Q2J67F6C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19815 ((2S)-2-(1-benzothiophen-2-ylformamido)-4-methyl-N-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity of the compound was evaluated against cathepsin K | Bioorg Med Chem Lett 11: 199-202 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DMJ | |||||||||||
More data for this Ligand-Target Pair |