BDBM50154362 CHEMBL3775798
SMILES: [H][C@]12C[C@H](CN1CCOC2)n1c2ccc(\C=C3/c4ccccc4COc4cc(F)ccc34)cc2[nH]c1=O
InChI Key: InChIKey=CZHIJMGMBQCQDA-ISGJEAITSA-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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Mineralocorticoid receptor (Homo sapiens (Human)) | BDBM50154362 (CHEMBL3775798) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (IQM-CSIC) Curated by ChEMBL | Assay Description Compound was tested for its ability to stimulate [35S]GTP-gamma-S, binding to membranes from C6 glioma cells stably expressing rat mu opioid receptor | J Med Chem 60: 2629-2650 (2017) Article DOI: 10.1021/acs.jmedchem.6b01065 BindingDB Entry DOI: 10.7270/Q2HD7XXB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50154362 (CHEMBL3775798) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of GST-tagged human glucocorticoid receptor LBD domain expressed in insect cells at by Gal4-based fluorescence polarization assay | Bioorg Med Chem 24: 1384-91 (2016) BindingDB Entry DOI: 10.7270/Q2BP04NS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50154362 (CHEMBL3775798) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of estrogen receptor (unknown origin) by Gal4-based luciferase assay | Bioorg Med Chem 24: 1384-91 (2016) BindingDB Entry DOI: 10.7270/Q2BP04NS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50154362 (CHEMBL3775798) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) | Bioorg Med Chem 24: 1384-91 (2016) BindingDB Entry DOI: 10.7270/Q2BP04NS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50154362 (CHEMBL3775798) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP2D6 (unknown origin) | Bioorg Med Chem 24: 1384-91 (2016) BindingDB Entry DOI: 10.7270/Q2BP04NS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50154362 (CHEMBL3775798) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of GST-tagged human progesterone receptor LBD domain expressed in insect cells by Gal4-based fluorescence polarization assay | Bioorg Med Chem 24: 1384-91 (2016) BindingDB Entry DOI: 10.7270/Q2BP04NS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50154362 (CHEMBL3775798) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP2C9 (unknown origin) | Bioorg Med Chem 24: 1384-91 (2016) BindingDB Entry DOI: 10.7270/Q2BP04NS | |||||||||||
More data for this Ligand-Target Pair |