BDBM50058527 (S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-propionylamino]-succinic acid::CHEMBL61023
SMILES: CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O
InChI Key: InChIKey=WWXVBTMGCZZKLP-ARENWVFISA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Caspase-1 (Homo sapiens (Human)) | BDBM50058527 ((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Winthrop Inc. Curated by ChEMBL | Assay Description Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE) | J Med Chem 40: 1941-6 (1997) Article DOI: 10.1021/jm9701637 BindingDB Entry DOI: 10.7270/Q2CC0ZSQ | |||||||||||
More data for this Ligand-Target Pair |