BDBM50273928 (S)-1-(4-Fluorobenzyl)-5-(2-(3-fluorophenoxymethyl)-pyrrolidine-1-sulfonyl)isatin::CHEMBL461249
SMILES: Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccc(F)c2)cc1
InChI Key: InChIKey=ZJJKLKRBUCLNMX-FQEVSTJZSA-N
Data: 5 EC50
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)) | BDBM50273928 ((S)-1-(4-Fluorobenzyl)-5-(2-(3-fluorophenoxymethyl...) | 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 | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
Imperial College London Curated by ChEMBL | Assay Description Inhibition of human recombinant caspase 3 assessed as accumulation of 7-amino-4-methylcoumarin substrate | J Med Chem 51: 8057-67 (2008) Article DOI: 10.1021/jm801107u BindingDB Entry DOI: 10.7270/Q2ZK5GHK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-7 (Homo sapiens (Human)) | BDBM50273928 ((S)-1-(4-Fluorobenzyl)-5-(2-(3-fluorophenoxymethyl...) | 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 | n/a | n/a | 13.5 | n/a | n/a | n/a | n/a |
Imperial College London Curated by ChEMBL | Assay Description Inhibition of human recombinant caspase 7 assessed as accumulation of 7-amino-4-methylcoumarin substrate | J Med Chem 51: 8057-67 (2008) Article DOI: 10.1021/jm801107u BindingDB Entry DOI: 10.7270/Q2ZK5GHK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-8 (Homo sapiens (Human)) | BDBM50273928 ((S)-1-(4-Fluorobenzyl)-5-(2-(3-fluorophenoxymethyl...) | 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 | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a |
Imperial College London Curated by ChEMBL | Assay Description Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate | J Med Chem 51: 8057-67 (2008) Article DOI: 10.1021/jm801107u BindingDB Entry DOI: 10.7270/Q2ZK5GHK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-6 (Homo sapiens (Human)) | BDBM50273928 ((S)-1-(4-Fluorobenzyl)-5-(2-(3-fluorophenoxymethyl...) | 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 | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a |
Imperial College London Curated by ChEMBL | Assay Description Inhibition of human recombinant caspase 6 assessed as accumulation of 7-amino-4-methylcoumarin substrate | J Med Chem 51: 8057-67 (2008) Article DOI: 10.1021/jm801107u BindingDB Entry DOI: 10.7270/Q2ZK5GHK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-1 (Homo sapiens (Human)) | BDBM50273928 ((S)-1-(4-Fluorobenzyl)-5-(2-(3-fluorophenoxymethyl...) | 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 | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a |
Imperial College London Curated by ChEMBL | Assay Description Inhibition of human recombinant caspase 1 assessed as accumulation of 7-amino-4-methylcoumarin substrate | J Med Chem 51: 8057-67 (2008) Article DOI: 10.1021/jm801107u BindingDB Entry DOI: 10.7270/Q2ZK5GHK | |||||||||||
More data for this Ligand-Target Pair |