BDBM29581 isatin sulfonamide, 16a
SMILES: O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC1
InChI Key: InChIKey=HPLZVLGCPPHPFD-UHFFFAOYSA-N
Data: 6 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)) | BDBM29581 (isatin sulfonamide, 16a) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Washington University | Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec... | J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM29581 (isatin sulfonamide, 16a) | 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 | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University | Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec... | J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM29581 (isatin sulfonamide, 16a) | 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 | 115 | 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-6 (Homo sapiens (Human)) | BDBM29581 (isatin sulfonamide, 16a) | 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 | 9.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University | Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec... | J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-7 (Homo sapiens (Human)) | BDBM29581 (isatin sulfonamide, 16a) | 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 | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University | Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec... | J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-8 (Homo sapiens (Human)) | BDBM29581 (isatin sulfonamide, 16a) | 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 | Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec... | J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4 | |||||||||||
More data for this Ligand-Target Pair |