BDBM50177011 CHEMBL3815014::US10144715, Compound 7-13
SMILES: CC(C)[C@@H]1CN(CCN1c1nccc(n1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O
InChI Key: InChIKey=XVRHEEOCNTZUNF-INIZCTEOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Oxysterols receptor LXR-beta (Homo sapiens (Human)) | BDBM50177011 (CHEMBL3815014 | US10144715, Compound 7-13) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc. US Patent | Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan... | US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxysterols receptor LXR-beta (Homo sapiens (Human)) | BDBM50177011 (CHEMBL3815014 | US10144715, Compound 7-13) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Displacement of [3H]TO901317 from LXRbeta ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting | J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxysterols receptor LXR-alpha (Homo sapiens (Human)) | BDBM50177011 (CHEMBL3815014 | US10144715, Compound 7-13) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Displacement of [3H]TO901317 from LXRalpha ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting | J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxysterols receptor LXR-alpha (Homo sapiens (Human)) | BDBM50177011 (CHEMBL3815014 | US10144715, Compound 7-13) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc. US Patent | Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan... | US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxysterols receptor LXR-alpha (Homo sapiens (Human)) | BDBM50177011 (CHEMBL3815014 | US10144715, Compound 7-13) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 89 | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc. US Patent | Assay Description This assay is based on the ability of the LXR-LBDs (LXRα and LXRβ) to recruit and interact with a co-activator peptide. This assay was run ... | US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxysterols receptor LXR-beta (Homo sapiens (Human)) | BDBM50177011 (CHEMBL3815014 | US10144715, Compound 7-13) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc. US Patent | Assay Description This assay is based on the ability of the LXR-LBDs (LXRα and LXRβ) to recruit and interact with a co-activator peptide. This assay was run ... | US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxysterols receptor LXR-alpha (Homo sapiens (Human)) | BDBM50177011 (CHEMBL3815014 | US10144715, Compound 7-13) | PDB MMDB NCI pathway 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 | n/a | n/a | 257 | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Agonist activity at human LXRalpha ligand binding domain(167 to 447 residues) transfected in HEK293 cells after 16 hrs by Gal4-luciferase reporter ge... | J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxysterols receptor LXR-beta (Homo sapiens (Human)) | BDBM50177011 (CHEMBL3815014 | US10144715, Compound 7-13) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Agonist activity at human LXRbeta ligand binding domain(155 to 460 residues) transfected in HEK293 cells after 16 hrs by Gal4-luciferase reporter gen... | J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7 | |||||||||||
More data for this Ligand-Target Pair |