BDBM100259 2-hydroxy-3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-1-cyclohepta-2,4,6-trienone::2-hydroxy-3-[(E)-3-(4-nitrophenyl)acryloyl]cyclohepta-2,4,6-trien-1-one::2-hydroxy-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]cyclohepta-2,4,6-trien-1-one::3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one::MLS002701851::SMR001565443::cid_6302331
SMILES: Oc1c(ccccc1=O)C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
InChI Key: InChIKey=XOEHJLARIPTYHM-JXMROGBWSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
COUP transcription factor 2 isoform a (Homo sapiens (Human)) | BDBM100259 (2-hydroxy-3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-eny...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 9.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q21Z431S | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha trans-inducing protein (VP16) (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...) | BDBM100259 (2-hydroxy-3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-eny...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.32E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2GM85ZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human)) | BDBM100259 (2-hydroxy-3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-eny...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 8.35E+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: Torrey Pines Institute for Molecul... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2930RT9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human)) | BDBM100259 (2-hydroxy-3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-eny...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.18E+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/Q2DV1HJQ | |||||||||||
More data for this Ligand-Target Pair |