BDBM50201099 4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-1H-benzo[d][1,2]oxazin-6-yl)-2-(trifluoromethyl)pentanamide::CHEMBL216272::ZK-216348
SMILES: Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cccc4CCOc34)C(F)(F)F)cc12
InChI Key: InChIKey=VRZVKIJRJRBQJT-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50201099 (4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay | J Med Chem 49: 7887-96 (2006) Article DOI: 10.1021/jm061273t BindingDB Entry DOI: 10.7270/Q2BG2PTB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mineralocorticoid receptor (Homo sapiens (Human)) | BDBM50201099 (4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of tetramethylrhodamine labeled dexamethosone binding to MR by FP assay | J Med Chem 49: 7887-96 (2006) Article DOI: 10.1021/jm061273t BindingDB Entry DOI: 10.7270/Q2BG2PTB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50201099 (4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of tetramethylrhodamine labeled RU486 binding to PR by FP assay | J Med Chem 49: 7887-96 (2006) Article DOI: 10.1021/jm061273t BindingDB Entry DOI: 10.7270/Q2BG2PTB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50201099 (4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG Curated by ChEMBL | Assay Description Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human HeLa cells assessed as inhibition of TPA-induced coll... | Bioorg Med Chem Lett 20: 5835-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.125 BindingDB Entry DOI: 10.7270/Q26974V3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50201099 (4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 12.6 | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG Curated by ChEMBL | Assay Description Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene a... | Bioorg Med Chem Lett 20: 5835-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.125 BindingDB Entry DOI: 10.7270/Q26974V3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50201099 (4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG Curated by ChEMBL | Assay Description Binding affinity to human recombinant progesterone receptor expressed in baculovirus infected Sf9 cells | Bioorg Med Chem Lett 20: 5835-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.125 BindingDB Entry DOI: 10.7270/Q26974V3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mineralocorticoid receptor (Homo sapiens (Human)) | BDBM50201099 (4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG Curated by ChEMBL | Assay Description Binding affinity to human recombinant mineralocorticoid receptor expressed in baculovirus infected Sf9 cells | Bioorg Med Chem Lett 20: 5835-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.125 BindingDB Entry DOI: 10.7270/Q26974V3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50201099 (4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG Curated by ChEMBL | Assay Description Binding affinity to human recombinant androgen receptor expressed in baculovirus infected Sf9 cells | Bioorg Med Chem Lett 20: 5835-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.125 BindingDB Entry DOI: 10.7270/Q26974V3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50201099 (4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 31.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG Curated by ChEMBL | Assay Description Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-induced IL-8... | Bioorg Med Chem Lett 20: 5835-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.125 BindingDB Entry DOI: 10.7270/Q26974V3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50201099 (4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG Curated by ChEMBL | Assay Description Binding affinity to human recombinant glucocorticoid receptor expressed in baculovirus infected Sf9 cells | Bioorg Med Chem Lett 20: 5835-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.125 BindingDB Entry DOI: 10.7270/Q26974V3 | |||||||||||
More data for this Ligand-Target Pair |