BDBM19728 (3S)-3-[(1R)-1-[3-(naphthalene-2-amido)-2-oxo-1,2-dihydropyridin-1-yl]-1-phenylacetamido]-4-oxo-5-phenoxypentanoic acid::PEP-1
SMILES: OC(=O)C[C@H](NC(=O)[C@@H](c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1
InChI Key: InChIKey=INQLGDGUTMTJDV-BHDXBOSCSA-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)) | BDBM19728 ((3S)-3-[(1R)-1-[3-(naphthalene-2-amido)-2-oxo-1,2-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research | Assay Description Enzyme activities with or without inhibitors were measured using a fluorescence assay. The formation of the cleavage product AFC was monitored for 90... | Biochemistry 46: 9462-71 (2007) Article DOI: 10.1021/bi7000505 BindingDB Entry DOI: 10.7270/Q2610XM2 | |||||||||||
More data for this Ligand-Target Pair |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
Caspase-3 (Homo sapiens (Human)) | BDBM19728 ((3S)-3-[(1R)-1-[3-(naphthalene-2-amido)-2-oxo-1,2-...) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid | -9.65 | -7.20 | -2.46 | 7.09 | 7.20 | 25 | |
Wyeth Research | Biochemistry 46: 9462-71 (2007) |