BDBM50326934 2-((1H-indol-2-yl)methyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol::CHEMBL1254651
SMILES: COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F
InChI Key: InChIKey=HINCRROTVFUICG-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)) | BDBM50326934 (2-((1H-indol-2-yl)methyl)-1,1,1-trifluoro-4-(5-flu...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents 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 Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce... | Bioorg Med Chem Lett 21: 6842-51 (2011) Article DOI: 10.1016/j.bmcl.2011.09.018 BindingDB Entry DOI: 10.7270/Q2CV4J51 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50326934 (2-((1H-indol-2-yl)methyl)-1,1,1-trifluoro-4-(5-flu...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of tetramethylrhodamine-labeled RU-486 from human recombinant progesterone receptor expressed in baculovirus infected insect cells by fl... | Bioorg Med Chem Lett 21: 6842-51 (2011) Article DOI: 10.1016/j.bmcl.2011.09.018 BindingDB Entry DOI: 10.7270/Q2CV4J51 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mineralocorticoid receptor (Homo sapiens (Human)) | BDBM50326934 (2-((1H-indol-2-yl)methyl)-1,1,1-trifluoro-4-(5-flu...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 383 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant mineralocorticoid receptor expressed in baculovirus infected insect... | Bioorg Med Chem Lett 21: 6842-51 (2011) Article DOI: 10.1016/j.bmcl.2011.09.018 BindingDB Entry DOI: 10.7270/Q2CV4J51 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50326934 (2-((1H-indol-2-yl)methyl)-1,1,1-trifluoro-4-(5-flu...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs | Bioorg Med Chem Lett 21: 6842-51 (2011) Article DOI: 10.1016/j.bmcl.2011.09.018 BindingDB Entry DOI: 10.7270/Q2CV4J51 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mineralocorticoid receptor (Homo sapiens (Human)) | BDBM50326934 (2-((1H-indol-2-yl)methyl)-1,1,1-trifluoro-4-(5-flu...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer-Ingelheim Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu... | J Med Chem 53: 6681-98 (2010) Article DOI: 10.1021/jm100751q BindingDB Entry DOI: 10.7270/Q2571D0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50326934 (2-((1H-indol-2-yl)methyl)-1,1,1-trifluoro-4-(5-flu...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer-Ingelheim Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Transrepression activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs by ELISA | J Med Chem 53: 6681-98 (2010) Article DOI: 10.1021/jm100751q BindingDB Entry DOI: 10.7270/Q2571D0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50326934 (2-((1H-indol-2-yl)methyl)-1,1,1-trifluoro-4-(5-flu...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer-Ingelheim Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore... | J Med Chem 53: 6681-98 (2010) Article DOI: 10.1021/jm100751q BindingDB Entry DOI: 10.7270/Q2571D0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50326934 (2-((1H-indol-2-yl)methyl)-1,1,1-trifluoro-4-(5-flu...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer-Ingelheim Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Binding affinity to progesterone receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled RU-486 by fluorescence po... | J Med Chem 53: 6681-98 (2010) Article DOI: 10.1021/jm100751q BindingDB Entry DOI: 10.7270/Q2571D0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50326934 (2-((1H-indol-2-yl)methyl)-1,1,1-trifluoro-4-(5-flu...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Transactivation activity of glucocorticoid receptor in HFF assessed as induction of aromatase activity by measuring beta-estradiol activity after 18 ... | Bioorg Med Chem Lett 21: 6842-51 (2011) Article DOI: 10.1016/j.bmcl.2011.09.018 BindingDB Entry DOI: 10.7270/Q2CV4J51 | |||||||||||
More data for this Ligand-Target Pair |