BDBM50072047 4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-2-methyl-propylcarbamoyl]-butyric acid::CHEMBL430648
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]1CC(=O)OC1O
InChI Key: InChIKey=SKSZJGAFHISZNB-JZRNZGBLSA-N
Data: 7 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 (Mus musculus) | BDBM50072047 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-((...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrate | Bioorg Med Chem Lett 8: 2757-62 (1999) BindingDB Entry DOI: 10.7270/Q2KP8198 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM50072047 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-((...) | 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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrate | Bioorg Med Chem Lett 8: 2757-62 (1999) BindingDB Entry DOI: 10.7270/Q2KP8198 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-8 (Homo sapiens (Human)) | BDBM50072047 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-((...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL 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 enzyme compared to acylated dipeptides | Bioorg Med Chem Lett 12: 2973-5 (2002) BindingDB Entry DOI: 10.7270/Q24M93VX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-7 (Homo sapiens (Human)) | BDBM50072047 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-((...) | 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 | 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 enzyme compared to acylated dipeptides | Bioorg Med Chem Lett 12: 2973-5 (2002) BindingDB Entry DOI: 10.7270/Q24M93VX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM50072047 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-((...) | 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 | 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 enzyme compared to acylated dipeptides | Bioorg Med Chem Lett 12: 2973-5 (2002) BindingDB Entry DOI: 10.7270/Q24M93VX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-6 (Homo sapiens (Human)) | BDBM50072047 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-((...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL 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 enzyme compared to acylated dipeptides | Bioorg Med Chem Lett 12: 2973-5 (2002) BindingDB Entry DOI: 10.7270/Q24M93VX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-1 (Homo sapiens (Human)) | BDBM50072047 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-((...) | 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 | 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 enzyme compared to acylated dipeptides | Bioorg Med Chem Lett 12: 2973-5 (2002) BindingDB Entry DOI: 10.7270/Q24M93VX | |||||||||||
More data for this Ligand-Target Pair |