BDBM64585 5-bromanyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one::5-bromo-2-hydroxy-3-[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]-1-cyclohepta-2,4,6-trienone::5-bromo-2-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]cyclohepta-2,4,6-trien-1-one::5-bromo-2-hydroxy-3-[(E)-3-(m-tolyl)acryloyl]cyclohepta-2,4,6-trien-1-one::5-bromo-2-hydroxy-3-[3-(3-methylphenyl)acryloyl]-2,4,6-cycloheptatrien-1-one::MLS000537597::SMR000161460::cid_7314657
SMILES: Cc1cccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)c1
InChI Key: InChIKey=ZPIGNPRACDNTMC-FNORWQNLSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM64585 (5-bromanyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM64585 (5-bromanyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
XBP1 (Homo sapiens (Human)) | BDBM64585 (5-bromanyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]-...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB | |||||||||||
More data for this Ligand-Target Pair |