BDBM50276797 CHEMBL4174856
SMILES: CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
InChI Key: InChIKey=BQNYTHNYGPJDQV-FHNILQQJSA-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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Estrogen-related receptor alpha (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18... | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxysterols receptor LXR-beta (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Agonist activity at recombinant GST-tagged human LXRbeta LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzyme... | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Agonist activity at recombinant GST-tagged human RXRalpha LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzym... | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxysterols receptor LXR-alpha (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Agonist activity at recombinant GST-tagged human LXRalpha LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzym... | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Inhibition of fluormone ES2 binding to recombinant full length human ERbeta expressed in insect cells by fluorescence polarization assay | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Antagonist activity at recombinant GST-tagged human PPARdelta LBD assessed as inhibition of GW0742-induced fluorescein-labeled coactivator peptide re... | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Retinoid receptor (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Antagonist activity at recombinant GST-tagged human RXRbeta LBD assessed as inhibition of all-trans-retinoic acid-induced fluorescein-labeled coactiv... | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Inhibition of fluormone PPARgamma Green binding to recombinant N-terminal GST-tagged human PPARgamma LBD by fluorescence polarization assay | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Agonist activity at recombinant GST-tagged human PPARalpha LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzy... | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Agonist activity at recombinant GST-tagged human RARbeta LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzyme... | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxysterols receptor LXR-beta (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Agonist activity at recombinant GST-tagged human LXRbeta LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzyme... | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid hormone receptor ERR2 (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Antagonist activity at recombinant GST-tagged human ERRbeta LBD assessed as inhibition of fluorescein-labeled coactivator peptide recruitment preincu... | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen-related receptor gamma (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Antagonist activity at ERRgamma (unknown origin) assessed as inhibition of co-activator peptide recruitment by TR-FRET assay | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Agonist activity at recombinant GST-tagged human PPARdelta LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzy... | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxysterols receptor LXR-alpha (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Antagonist activity at recombinant GST-tagged human LXRalpha LBD assessed as inhibition of TO901317-induced fluorescein-labeled coactivator peptide r... | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Retinoic acid receptor RXR-alpha/gamma (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Antagonist activity at recombinant GST-tagged human RXRalpha LBD assessed as inhibition of 9-cis-retinoic acid-induced fluorescein-labeled coactivato... | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Antagonist activity at recombinant GST-tagged human PPARalpha LBD assessed as inhibition of GW7647-induced fluorescein-labeled coactivator peptide re... | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50276797 (CHEMBL4174856) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC Curated by ChEMBL | Assay Description Inhibition of fluormone ES2 green binding to recombinant full length human ERalpha expressed in insect cells by fluorescence polarization assay | Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 | |||||||||||
More data for this Ligand-Target Pair |