BDBM268 (3S)-3-({6-[(4-hydroxybenzene)sulfonamidomethyl]pyridin-3-yl}formamido)-4-oxobutanoic acid::(S)-3-({6-[(4-Hydroxy-benzenesulfonylamino)methyl]-pyridine-3-carbonyl}amino)-4-oxo-butyric Acid Trifluoroacetate::Inhibitor 49::Pyridine Scaffold 49
SMILES: OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)cc2)nc1)C=O
InChI Key: InChIKey=PQNSMYHJDHIPKV-ZDUSSCGKSA-N
Data: 1 KI
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)) | BDBM268 ((3S)-3-({6-[(4-hydroxybenzene)sulfonamidomethyl]py...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.30E+3 | -7.69 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Sunesis Pharmaceuticals | J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5 | ||||||||||||
More data for this Ligand-Target Pair |