BDBM55033 5-bromanyl-3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one::5-bromo-2-hydroxy-3-[(E)-3-p-phenetylacryloyl]cyclohepta-2,4,6-trien-1-one::5-bromo-3-[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]-2-hydroxy-1-cyclohepta-2,4,6-trienone::5-bromo-3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one::5-bromo-3-[3-(4-ethoxyphenyl)acryloyl]-2-hydroxy-2,4,6-cycloheptatrien-1-one::MLS000702106::SMR000229860::cid_7314670
SMILES: CCOc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1
InChI Key: InChIKey=QHTVWVPIFXIBKA-WEVVVXLNSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NS3 (Hepatitis C virus) | BDBM55033 (5-bromanyl-3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.35E+3 | n/a | n/a | 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) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2XS5ST3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human)) | BDBM55033 (5-bromanyl-3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.14E+4 | n/a | n/a | 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) Center Affiliation: Torrey Pines Institute for Molecul... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q21J98DJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human)) | BDBM55033 (5-bromanyl-3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.76E+4 | n/a | n/a | 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) Center Affiliation: Torrey Pines Institute for Molecul... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q25B013C | |||||||||||
More data for this Ligand-Target Pair |