BDBM65559 2-(5-bromo-2-furyl)-4-oxo-4H-chromen-3-yl acetate::MLS001163647::SMR000498637::[2-(5-bromanylfuran-2-yl)-4-oxidanylidene-chromen-3-yl] ethanoate::[2-(5-bromofuran-2-yl)-4-oxochromen-3-yl] acetate::acetic acid [2-(5-bromo-2-furanyl)-4-oxo-1-benzopyran-3-yl] ester::acetic acid [2-(5-bromo-2-furyl)-4-keto-chromen-3-yl] ester::cid_1696227
SMILES: CC(=O)Oc1c(oc2ccccc2c1=O)-c1ccc(Br)o1
InChI Key: InChIKey=RHNUCGQBBOJPOY-UHFFFAOYSA-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)) | BDBM65559 (2-(5-bromo-2-furyl)-4-oxo-4H-chromen-3-yl acetate ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 3.34E+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/Q2Z31X4P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-7 (Homo sapiens (Human)) | BDBM65559 (2-(5-bromo-2-furyl)-4-oxo-4H-chromen-3-yl acetate ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | >8.53E+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 |