BDBM50076691 7,7-Dimethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-oxa-8-aza-anthracen-2-one::CHEMBL7289
SMILES: CC1(C)CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
InChI Key: InChIKey=XCAOBUOTWGIJFB-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 |
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Androgen receptor (Homo sapiens (Human)) | BDBM50076691 (7,7-Dimethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description In vitro binding affinity at human androgen receptor transfected into COS cells. | Bioorg Med Chem Lett 9: 1003-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9PM8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50076691 (7,7-Dimethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | 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 In vitro antagonistic activity against human glucocorticoid receptor (hGR); not active | Bioorg Med Chem Lett 9: 1003-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9PM8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mineralocorticoid receptor (Homo sapiens (Human)) | BDBM50076691 (7,7-Dimethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description In vitro antagonistic activity against human mineralocorticoid receptor (hMR) | Bioorg Med Chem Lett 9: 1003-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9PM8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Homo sapiens (Human)) | BDBM50076691 (7,7-Dimethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active. | Bioorg Med Chem Lett 9: 1003-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9PM8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor beta (Homo sapiens (Human)) | BDBM50076691 (7,7-Dimethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | 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 In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active. | Bioorg Med Chem Lett 9: 1003-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9PM8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Homo sapiens (Human)) | BDBM50076691 (7,7-Dimethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description In vitro binding affinity at human androgen receptor transfected into COS cells. | Bioorg Med Chem Lett 9: 1003-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9PM8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50076691 (7,7-Dimethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description In vitro antagonistic activity against human progesterone receptor (hPR) | Bioorg Med Chem Lett 9: 1003-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9PM8 | |||||||||||
More data for this Ligand-Target Pair |