BDBM50149217 5-{[5-((R)-1-Carboxy-2-oxo-ethylcarbamoyl)-pyrimidin-2-ylmethyl]-sulfamoyl}-2-hydroxy-benzoic acid::CHEMBL117075
SMILES: OC(=O)[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O
InChI Key: InChIKey=SUKMDWJCBDXPIA-LLVKDONJSA-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)) | BDBM50149217 (5-{[5-((R)-1-Carboxy-2-oxo-ethylcarbamoyl)-pyrimid...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Binding affinity against Caspase-3 | J Med Chem 47: 3463-82 (2004) Article DOI: 10.1021/jm040031v BindingDB Entry DOI: 10.7270/Q2NC61ZJ | |||||||||||
More data for this Ligand-Target Pair |