BDBM20733 4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol::Benzisoxazole, 14::CHEMBL360410
SMILES: Oc1ccc(-c2noc3cc(O)ccc23)c(O)c1
InChI Key: InChIKey=NBTXJDAHLMMIGY-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 |
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Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM20733 (4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.52E+4 | n/a | n/a | n/a | n/a | 7.3 | 22 |
Wyeth Research | Assay Description Compounds were assayed over a threefold dilution series in a 96-well plate format to determine IC50 values. The reaction was allowed to proceed with ... | J Med Chem 51: 373-5 (2008) Article DOI: 10.1021/jm701385c BindingDB Entry DOI: 10.7270/Q2G44NKB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM20733 (4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol ...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 24 | 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)) | BDBM20733 (4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol ...) | 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 | 3.5 | 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) |