BDBM10333 4-[(2,3-dioxo-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indol-1-yl)methyl]phenyl acetate::Acetic Acid (S)-4-[2,3-Dioxo-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-2,3-dihydroindol-1-yl-methyl]phenyl Ester::Pyrrolidine Isatin Analogue 11e
SMILES: CC(=O)Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
InChI Key: InChIKey=BSDZXTVQJICEPK-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)) | BDBM10333 (4-[(2,3-dioxo-5-{[(2S)-2-(phenoxymethyl)pyrrolidin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Washington University School of Medicine | Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ... | J Med Chem 48: 7637-47 (2005) Article DOI: 10.1021/jm0506625 BindingDB Entry DOI: 10.7270/Q2V40SDN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM10333 (4-[(2,3-dioxo-5-{[(2S)-2-(phenoxymethyl)pyrrolidin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Company Curated by ChEMBL | Assay Description Inhibition of caspase3 | Bioorg Med Chem 20: 5410-5 (2012) Article DOI: 10.1016/j.bmc.2012.03.041 BindingDB Entry DOI: 10.7270/Q2GF0VTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-7 (Homo sapiens (Human)) | BDBM10333 (4-[(2,3-dioxo-5-{[(2S)-2-(phenoxymethyl)pyrrolidin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 34.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine | Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ... | J Med Chem 48: 7637-47 (2005) Article DOI: 10.1021/jm0506625 BindingDB Entry DOI: 10.7270/Q2V40SDN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-6 (Homo sapiens (Human)) | BDBM10333 (4-[(2,3-dioxo-5-{[(2S)-2-(phenoxymethyl)pyrrolidin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine | Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ... | J Med Chem 48: 7637-47 (2005) Article DOI: 10.1021/jm0506625 BindingDB Entry DOI: 10.7270/Q2V40SDN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-8 (Homo sapiens (Human)) | BDBM10333 (4-[(2,3-dioxo-5-{[(2S)-2-(phenoxymethyl)pyrrolidin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | 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 | Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ... | J Med Chem 48: 7637-47 (2005) Article DOI: 10.1021/jm0506625 BindingDB Entry DOI: 10.7270/Q2V40SDN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-1 (Homo sapiens (Human)) | BDBM10333 (4-[(2,3-dioxo-5-{[(2S)-2-(phenoxymethyl)pyrrolidin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | 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 | Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ... | J Med Chem 48: 7637-47 (2005) Article DOI: 10.1021/jm0506625 BindingDB Entry DOI: 10.7270/Q2V40SDN | |||||||||||
More data for this Ligand-Target Pair |