BDBM77501 (5E)-2-(4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-oxazol-4(5H)-one::(5E)-2-(4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)-2-oxazolin-4-one::(5E)-2-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-4-one::(5E)-2-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-4-oxazolone::MLS000585672::SMR000204235::cid_12005122
SMILES: COc1ccc(cc1)C1=NC(=O)\C(O1)=C/c1cc(OC)c(OC)c(OC)c1
InChI Key: InChIKey=AWAVOWPVYRYKLG-GZTJUZNOSA-N
Data: 2 EC50
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)) | BDBM77501 ((5E)-2-(4-methoxyphenyl)-5-(3,4,5-trimethoxybenzyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z31X4P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-7 (Homo sapiens (Human)) | BDBM77501 ((5E)-2-(4-methoxyphenyl)-5-(3,4,5-trimethoxybenzyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >8.52E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6 | |||||||||||
More data for this Ligand-Target Pair |