BDBM50326093 (S)-3-((2S,3S)-2-(benzyloxycarbonylamino)-3-methylpentanamido)-5-(phenylsulfonyl)pent-4-enoic acid::CHEMBL1242610
SMILES: CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(=O)(=O)c1ccccc1
InChI Key: InChIKey=IEZUTDJHDVXOKT-NOXFTYBFSA-N
Data: 3 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-7 (Homo sapiens (Human)) | BDBM50326093 ((S)-3-((2S,3S)-2-(benzyloxycarbonylamino)-3-methyl...) | 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 | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon Curated by ChEMBL | Assay Description Inhibition of human recombinant caspase 7 assessed as fluorescent 7-amido-4-methylcoumarin release | Eur J Med Chem 45: 3858-63 (2010) Article DOI: 10.1016/j.ejmech.2010.05.039 BindingDB Entry DOI: 10.7270/Q2X63N59 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM50326093 ((S)-3-((2S,3S)-2-(benzyloxycarbonylamino)-3-methyl...) | 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 | 2.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon Curated by ChEMBL | Assay Description Inhibition of human recombinant caspase-3 expressed in Saccharomyces cerevisiae CG379 assessed as growth stimulation after 2 days | Eur J Med Chem 46: 2141-6 (2011) Article DOI: 10.1016/j.ejmech.2011.02.067 BindingDB Entry DOI: 10.7270/Q2QV3MW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM50326093 ((S)-3-((2S,3S)-2-(benzyloxycarbonylamino)-3-methyl...) | 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 | 1.85E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon Curated by ChEMBL | Assay Description Inhibition of human recombinant caspase 3 assessed as fluorescent 7-amido-4-methylcoumarin release | Eur J Med Chem 45: 3858-63 (2010) Article DOI: 10.1016/j.ejmech.2010.05.039 BindingDB Entry DOI: 10.7270/Q2X63N59 | |||||||||||
More data for this Ligand-Target Pair |