BDBM50283345 (S)-3-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-hydroxy-3,5-diiodo-phenyl)-propionylamino]-3-methyl-butyrylamino}-propionylamino)-4-oxo-butyric acid::CHEMBL76199
SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
InChI Key: InChIKey=OCOBCNSCMQEORE-WZEWUOQTSA-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)) | BDBM50283345 ((S)-3-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-hydrox...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity towards IL-1 beta converting enzyme (ICE) | Bioorg Med Chem Lett 4: 2359-2364 (1994) Article DOI: 10.1016/0960-894X(94)85040-2 BindingDB Entry DOI: 10.7270/Q2NG4QK5 | |||||||||||
More data for this Ligand-Target Pair |