BDBM269 (S)-3-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-pyridin-2-ylmethyl]sulfamoyl}benzoic Acid Trifluoroacetate::3-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}pyridin-2-yl)methyl]sulfamoyl}benzoic acid::Inhibitor 50::Pyridine Scaffold 50
SMILES: OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)C(O)=O)nc1)C=O
InChI Key: InChIKey=MENAYYMPBRSAAE-AWEZNQCLSA-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)) | BDBM269 ((S)-3-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-p...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 160 | -9.26 | 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 |