BDBM19199 (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](3,4-difluoro-5-methoxyphenyl)methanol::CHEMBL313062::N-Arylpyrazolo[3,2-c]-Based Ligand, 18
SMILES: [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc(F)c(F)c(OC)c1
InChI Key: InChIKey=MFEARMWUWKRDRV-BQQUOAEZSA-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)) | BDBM19199 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) | 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 | 1.90 | n/a | 14.4 | n/a | n/a | 7.5 | 4 |
Merck Research Laboratories | Assay Description The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10... | J Med Chem 47: 2441-52 (2004) Article DOI: 10.1021/jm030585i BindingDB Entry DOI: 10.7270/Q28W3BKZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM19199 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories | Assay Description The IC50s were determined by incubating the receptors with radiolabeled progesterone in the presence of full log scale concentrations (10-11 M to 10-... | J Med Chem 47: 2441-52 (2004) Article DOI: 10.1021/jm030585i BindingDB Entry DOI: 10.7270/Q28W3BKZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
mineralocorticoid (RAT) | BDBM19199 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories | Assay Description The IC50s were determined by incubating the receptors with radiolabeled aldosterone in the presence of full log scale concentrations (10-11 M to 10-6... | J Med Chem 47: 2441-52 (2004) Article DOI: 10.1021/jm030585i BindingDB Entry DOI: 10.7270/Q28W3BKZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM19199 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) | 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 | 521 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of GR-mediated tyrosine amino transferase activity in human HepG2 cells | Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM19199 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) | 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 | 14.4 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description GR-mediated transrepression of IL-6 in human A549 lung carcinoma cells | Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid (MOUSE) | BDBM19199 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice | Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM19199 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone | Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX | |||||||||||
More data for this Ligand-Target Pair |