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BDBM50340535 (S)-2-(1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-2-oxo-5-(2-(phenoxymethyl)azetidin-1-ylsulfonyl)indolin-3-ylidene)malononitrile::CHEMBL1762355
SMILES: F[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1
InChI Key: InChIKey=XRPCYJXACIMBQT-VWLOTQADSA-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-1 (Homo sapiens (Human)) | BDBM50340535 ((S)-2-(1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-2-ox...) | 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 | 5.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibition of caspase 1 by fluorometric assay | Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Caspase-3 (Homo sapiens (Human)) | BDBM50340535 ((S)-2-(1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-2-ox...) | 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 | 24.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibition of human caspase 3 by fluorometric assay | Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Caspase-8 (Homo sapiens (Human)) | BDBM50340535 ((S)-2-(1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-2-ox...) | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibition of caspase 8 by fluorometric assay | Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Caspase-7 (Homo sapiens (Human)) | BDBM50340535 ((S)-2-(1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-2-ox...) | 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 | 68.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibition of caspase 7 by fluorometric assay | Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Caspase-6 (Homo sapiens (Human)) | BDBM50340535 ((S)-2-(1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-2-ox...) | 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 | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibition of caspase 6 by fluorometric assay | Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
