BDBM50200315 (S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL385930
SMILES: BrCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
InChI Key: InChIKey=YZZZZAGTJYSDAA-NRFANRHFSA-N
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-3 (Homo sapiens (Human)) | BDBM50200315 ((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymet...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital of the Westfälische Wilhelms-Universität Curated by ChEMBL | Assay Description Binding affinity to human caspase 3 | J Med Chem 49: 6704-15 (2006) Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-1 (Homo sapiens (Human)) | BDBM50200315 ((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymet...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital of the Westfälische Wilhelms-Universität Curated by ChEMBL | Assay Description Inhibition of caspase 1 | J Med Chem 49: 6704-15 (2006) Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-6 (Homo sapiens (Human)) | BDBM50200315 ((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymet...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital of the Westfälische Wilhelms-Universität Curated by ChEMBL | Assay Description Inhibition of caspase 6 | J Med Chem 49: 6704-15 (2006) Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-7 (Homo sapiens (Human)) | BDBM50200315 ((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymet...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital of the Westfälische Wilhelms-Universität Curated by ChEMBL | Assay Description Inhibition of caspase 7 | J Med Chem 49: 6704-15 (2006) Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-8 (Homo sapiens (Human)) | BDBM50200315 ((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymet...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital of the Westfälische Wilhelms-Universität Curated by ChEMBL | Assay Description Inhibition of caspase 8 | J Med Chem 49: 6704-15 (2006) Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM50200315 ((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymet...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 25.6 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital of the Westfälische Wilhelms-Universität Curated by ChEMBL | Assay Description Inhibition of caspase 3 | J Med Chem 49: 6704-15 (2006) Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1 | |||||||||||
More data for this Ligand-Target Pair |