BDBM50200309 (S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL215480
SMILES: COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCCF)cc3)C(=O)C(=O)c2c1
InChI Key: InChIKey=CLVRDSQHWNEIQR-KRWDZBQOSA-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)) | BDBM50200309 ((S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxyme...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 17.9 | 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-8 (Homo sapiens (Human)) | BDBM50200309 ((S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxyme...) | 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 | >2.50E+4 | 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-1 (Homo sapiens (Human)) | BDBM50200309 ((S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxyme...) | 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 | >2.50E+4 | 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)) | BDBM50200309 ((S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxyme...) | 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 | >2.50E+4 | 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)) | BDBM50200309 ((S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxyme...) | 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 | 93.3 | 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-3 (Homo sapiens (Human)) | BDBM50200309 ((S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxyme...) | 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 | 36.4 | 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 |