BDBM50119245 4-(2-Acetylamino-2-carboxy-acetylamino)-4-[1-(2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-2-methyl-propylcarbamoyl]-butyric acid::CHEMBL328412
SMILES: CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C(=O)N[C@H]1CC(=O)OC1O
InChI Key: InChIKey=INEQQSYFBJJTKI-FQAXKGDYSA-N
Data: 5 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-7 (Homo sapiens (Human)) | BDBM50119245 (4-(2-Acetylamino-2-carboxy-acetylamino)-4-[1-(2-hy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory concentration of compound required against Caspase-7 compared to acylated dipeptides | Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM50119245 (4-(2-Acetylamino-2-carboxy-acetylamino)-4-[1-(2-hy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory concentration of compound required against Caspase-3 compared to acylated dipeptides | Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-1 (Homo sapiens (Human)) | BDBM50119245 (4-(2-Acetylamino-2-carboxy-acetylamino)-4-[1-(2-hy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory concentration of compound required against Caspase-1 compared to acylated dipeptides | Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-6 (Homo sapiens (Human)) | BDBM50119245 (4-(2-Acetylamino-2-carboxy-acetylamino)-4-[1-(2-hy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory concentration of compound required against Caspase-6 compared to acylated dipeptides | Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-8 (Homo sapiens (Human)) | BDBM50119245 (4-(2-Acetylamino-2-carboxy-acetylamino)-4-[1-(2-hy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory concentration of compound required against Caspase-8 compared to acylated dipeptides | Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S | |||||||||||
More data for this Ligand-Target Pair |