BDBM18216 (2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one::7H-[1,4]Oxazino[3,2-g]quinolin-7-one based compound, (R)-16e::CHEMBL224263
SMILES: C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
InChI Key: InChIKey=SPBFNRFRJLBCIQ-SSDOTTSWSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Androgen Receptor (Homo sapiens (Human)) | BDBM18216 ((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells | Bioorg Med Chem Lett 18: 2967-71 (2008) Article DOI: 10.1016/j.bmcl.2008.03.062 BindingDB Entry DOI: 10.7270/Q2R2128X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM18216 ((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 7.10 | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc. | Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... | J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM18216 ((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GTx, Inc. Curated by ChEMBL | Assay Description Agonist activity at androgen receptor (unknown origin) | J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM18216 ((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay | Bioorg Med Chem Lett 17: 5442-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.034 BindingDB Entry DOI: 10.7270/Q23F4PCR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM18216 ((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at human androgen receptor in CV1 cells by transcriptional activation assay | Bioorg Med Chem Lett 18: 2967-71 (2008) Article DOI: 10.1016/j.bmcl.2008.03.062 BindingDB Entry DOI: 10.7270/Q2R2128X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM18216 ((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Antagonist activity at human androgen receptor in CV1 cells by transcriptional activation assay | Bioorg Med Chem Lett 18: 2967-71 (2008) Article DOI: 10.1016/j.bmcl.2008.03.062 BindingDB Entry DOI: 10.7270/Q2R2128X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM18216 ((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...) | PDB MMDB NCI pathway Reactome pathway 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay | Bioorg Med Chem Lett 17: 5442-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.034 BindingDB Entry DOI: 10.7270/Q23F4PCR | |||||||||||
More data for this Ligand-Target Pair |