BDBM50133879 (S)-5-(Biphenyl-4-yloxy)-3-{(S)-3-methyl-2-[2-(naphthalen-1-yloxy)-acetylamino]-butyrylamino}-4-oxo-pentanoic acid::CHEMBL331689
SMILES: CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccc(cc1)-c1ccccc1
InChI Key: InChIKey=PEXATNCPMKXMKK-UVMMSNCQSA-N
Data: 2 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)) | BDBM50133879 ((S)-5-(Biphenyl-4-yloxy)-3-{(S)-3-methyl-2-[2-(nap...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Binding affinity of the compound was tested against caspase-3 (Csp-3) | Bioorg Med Chem Lett 13: 3623-6 (2003) BindingDB Entry DOI: 10.7270/Q21835WJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-1 (Mus musculus) | BDBM50133879 ((S)-5-(Biphenyl-4-yloxy)-3-{(S)-3-methyl-2-[2-(nap...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Binding affinity of the compound was tested against Murine caspase-1 (mCsp-1) | Bioorg Med Chem Lett 13: 3623-6 (2003) BindingDB Entry DOI: 10.7270/Q21835WJ | |||||||||||
More data for this Ligand-Target Pair |