BDBM50201104 4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-1H-benzo[d][1,2]oxazin-6-yl)-2-(trifluoromethyl)pentanamide::CHEMBL263091
SMILES: COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
InChI Key: InChIKey=GIBZLWRPPUSMTC-UHFFFAOYSA-N
Data: 10 IC50
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)) | BDBM50201104 (4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8 | 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 | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50201104 (4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 22 | 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 | |||||||||||||
Mineralocorticoid receptor (Homo sapiens (Human)) | BDBM50201104 (4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 130 | 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)) | BDBM50201104 (4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cell | Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mineralocorticoid receptor (Homo sapiens (Human)) | BDBM50201104 (4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.94 | 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 | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50201104 (4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell | Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50201104 (4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 501 | 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)) | BDBM50201104 (4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1 | 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 | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50201104 (4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12.6 | 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)) | BDBM50201104 (4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell | Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2 | |||||||||||
More data for this Ligand-Target Pair |