BDBM50154055 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL::2-(3-Fluoro-4-hydroxy-phenyl)-7-vinyl-benzooxazol-5-ol::2-(3-fluoro-4-hydroxyphenyl)-7-vinylbenzo[d]oxazol-5-ol::CHEMBL450940
SMILES: Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1
InChI Key: InChIKey=MQIMZDXIAHJKQP-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Estrogen receptor (Mus musculus) | BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of [3H]17-beta-estradiol binding to mouse ER beta expressed in Escherichia coli | J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (RAT) | BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 618 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escherichia coli | J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Mus musculus) | BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 746 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli | J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Yantai University Curated by ChEMBL | Assay Description Binding affinity to ERbeta (unknown origin) | Eur J Med Chem 43: 43-52 (2008) Article DOI: 10.1016/j.ejmech.2007.03.002 BindingDB Entry DOI: 10.7270/Q2WD40BT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibitory concentration against human ER alpha expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand | J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibitory concentration against human ER beta expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand | J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Rattus norvegicus) | BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of [3H]17-beta-estradiol binding to rat ER beta expressed in Escherichia coli | J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |