BDBM50177018 CHEMBL3814478::US10144715, Compound 14-1
SMILES: CC(C)[C@@H]1CN(CCN1c1ncc(c(n1)C(F)(F)F)C(C)(C)O)c1ccc(F)c(c1)S(C)(=O)=O
InChI Key: InChIKey=HXOUVMGQDQYWNM-KRWDZBQOSA-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)) | BDBM50177018 (CHEMBL3814478 | US10144715, Compound 14-1) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 8 | 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-beta (Homo sapiens (Human)) | BDBM50177018 (CHEMBL3814478 | US10144715, Compound 14-1) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 8 | 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)) | BDBM50177018 (CHEMBL3814478 | US10144715, Compound 14-1) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 14 | 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)) | BDBM50177018 (CHEMBL3814478 | US10144715, Compound 14-1) | 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 | 157 | 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)) | BDBM50177018 (CHEMBL3814478 | US10144715, Compound 14-1) | 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 | 157 | 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)) | BDBM50177018 (CHEMBL3814478 | US10144715, Compound 14-1) | 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 | 487 | 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)) | BDBM50177018 (CHEMBL3814478 | US10144715, Compound 14-1) | 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 | 763 | 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-alpha (Homo sapiens (Human)) | BDBM50177018 (CHEMBL3814478 | US10144715, Compound 14-1) | 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 | 213 | 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)) | BDBM50177018 (CHEMBL3814478 | US10144715, Compound 14-1) | 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 | 80 | 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 |