BDBM23933 1-[(E)-2-(4-fluorophenyl)ethenyl]-3,5-dimethoxybenzene::trans-Stilbene Derivative, 4f
SMILES: COc1cc(OC)cc(\C=C\c2ccc(F)cc2)c1
InChI Key: InChIKey=BXIQOACOSDGVBH-ONEGZZNKSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aryl Hydrocarbon Receptor (AhR) (Oryctolagus cuniculus (rabbit)) | BDBM23933 (1-[(E)-2-(4-fluorophenyl)ethenyl]-3,5-dimethoxyben...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.10 | -10.8 | n/a | n/a | n/a | n/a | n/a | 7.6 | 4 |
Institut Claudius Regaud | Assay Description Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera... | J Med Chem 48: 287-91 (2005) Article DOI: 10.1021/jm0498194 BindingDB Entry DOI: 10.7270/Q2WM1BQT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM23933 (1-[(E)-2-(4-fluorophenyl)ethenyl]-3,5-dimethoxyben...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Claudius Regaud | Assay Description Cytosols from MCF-7 cells expressed ER-alpha isoform were incubated with [3H]-estradiol and eight concentrations of unlabeled test ligands. IC50 val... | J Med Chem 48: 287-91 (2005) Article DOI: 10.1021/jm0498194 BindingDB Entry DOI: 10.7270/Q2WM1BQT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aryl hydrocarbon receptor (Homo sapiens (Human)) | BDBM23933 (1-[(E)-2-(4-fluorophenyl)ethenyl]-3,5-dimethoxyben...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article | 3.23E+8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to aryl hydrocarbon receptor (unknown origin) | Citation and Details Article DOI: 10.1007/s00044-007-9055-2 BindingDB Entry DOI: 10.7270/Q2M32ZPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human)) | BDBM23933 (1-[(E)-2-(4-fluorophenyl)ethenyl]-3,5-dimethoxyben...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate | Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0 | |||||||||||
More data for this Ligand-Target Pair |