BDBM50179751 (S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamido)-3,3-dimethylbutanamido)-N-((3S)-2-hydroxy-tetrahydrofuran-3-yl)-4-methylpentanamide::CHEMBL206126
SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(C)(C)C)C(=O)N[C@H]1CCOC1O
InChI Key: InChIKey=ZEPJUNYIGZQROD-YBSOJNAPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calpain 1/small subunit 1 (Homo sapiens (Human)) | BDBM50179751 ((S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamid...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 354 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour Curated by ChEMBL | Assay Description Inhibition of isolated human calpain1 | Bioorg Med Chem Lett 16: 1586-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.036 BindingDB Entry DOI: 10.7270/Q2T15367 | |||||||||||
More data for this Ligand-Target Pair |