BDBM50070499 (R)-3-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-3-methyl-butyrylamino}-5-oxo-pentanoic acid::CHEMBL285638
SMILES: CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@H](CC=O)CC(O)=O
InChI Key: InChIKey=IMRNKNWXBGSFOO-COJSNBRMSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Caspase-1 (Homo sapiens (Human)) | BDBM50070499 ((R)-3-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-carboxy-p...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 22.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Drug Research Curated by ChEMBL | Assay Description Amidolytic activity of THP.1 cell lysate against IL-1 beta converting enzyme using C1-Asp-AMC as a substrate | Bioorg Med Chem Lett 8: 1477-82 (1999) Checked by Author BindingDB Entry DOI: 10.7270/Q2GB24KF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM50070499 ((R)-3-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-carboxy-p...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 438 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Drug Research Curated by ChEMBL | Assay Description Amidolytic activity of THP.1 cell lysate against Caspase-3 using C3-Asp-AMC as a substrate | Bioorg Med Chem Lett 8: 1477-82 (1999) Checked by Author BindingDB Entry DOI: 10.7270/Q2GB24KF | |||||||||||
More data for this Ligand-Target Pair |