BDBM50154137 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL::3-(6-Hydroxy-naphthalen-2-yl)-benzo[d]isoxazol-6-ol::3-(6-hydroxynaphthalen-2-yl)benzo[d]isoxazol-6-ol::CHEMBL187105
SMILES: Oc1ccc2c(noc2c1)-c1ccc2cc(O)ccc2c1
InChI Key: InChIKey=LCGSYJVWLGYWTD-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM50154137 (3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.40 | 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) | ||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM50154137 (3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of estrogen receptor beta | J Med Chem 51: 2481-91 (2008) Article DOI: 10.1021/jm701314u BindingDB Entry DOI: 10.7270/Q2GX4CF5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM50154137 (3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.40 | 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)) | BDBM50154137 (3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 8 | 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 |