BDBM260 (S)-5-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-4-methyl-thiophen-2-ylmethyl]sulfamoyl}-2-hydroxy-benzoic Acid::5-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-4-methylthiophen-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Heterocyclic deriv. 69a::Inhibitor 69a
SMILES: Cc1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)sc1C(=O)N[C@@H](CC(O)=O)C=O
InChI Key: InChIKey=IEEBOWICSGFLHF-JTQLQIEISA-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)) | BDBM260 ((S)-5-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 290 | -8.91 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Sunesis Pharmaceuticals | Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ... | 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 |