BindingDB PrimarySearch

BDBM20164 (1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol::24(S),25-epoxycholesterol::CHEMBL434302::Epoxycholesterol

SMILES: [H][C@@]1(CC[C@@H](C)[C@@]2([H])CC[C@@]3([H])[C@]4([H])CC=C5C[C@@]([H])(O)CC[C@]5(C)[C@@]4([H])CC[C@]23C)OC1(C)C

InChI Key: InChIKey=OSENKJZWYQXHBN-XVYZBDJZSA-N

Data: 10 EC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 20164
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20164 ((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	95	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 45: 1963-6 (2002) Article DOI: 10.1021/jm0255116 BindingDB Entry DOI: 10.7270/Q2319T5G
GlaxoSmithKline					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20164 ((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	460	n/a	n/a	7.5	22
Dartmouth College					Assay Description The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...				J Med Chem 44: 886-97 (2001) Article DOI: 10.1021/jm0004749 BindingDB Entry DOI: 10.7270/Q2Z899P5
Dartmouth College					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20164 ((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	286	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assay				Bioorg Med Chem Lett 19: 2009-12 (2009) Article DOI: 10.1016/j.bmcl.2009.02.039 BindingDB Entry DOI: 10.7270/Q20C4VNS
AstraZeneca R&D Södertälje Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20164 ((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description Agonist activity at human LXRbeta expressed in human SH-SY5Y cells co-transfected with Gal4-LBD after 24 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 19: 2009-12 (2009) Article DOI: 10.1016/j.bmcl.2009.02.039 BindingDB Entry DOI: 10.7270/Q20C4VNS
AstraZeneca R&D Södertälje Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20164 ((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	168	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human LXRbeta coexpressed in African green monkey CV1 cells by Gal4 responsive reporter gene assay				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20164 ((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description Agonist activity at LXRalpha ligand binding domain by FRET based SRC1 recruitment assay				Bioorg Med Chem Lett 19: 2009-12 (2009) Article DOI: 10.1016/j.bmcl.2009.02.039 BindingDB Entry DOI: 10.7270/Q20C4VNS
AstraZeneca R&D Södertälje Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20164 ((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to human LXRalpha				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20164 ((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding to human LXRbeta				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20164 ((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	117	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human LXRalpha coexpressed in African green monkey CV1 cells by Gal4 responsive reporter gene assay				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20164 ((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Activity against LXR alpha transiently transfected in HEK293 cells				Bioorg Med Chem Lett 16: 1638-42 (2006) Article DOI: 10.1016/j.bmcl.2005.12.015 BindingDB Entry DOI: 10.7270/Q21J99B2
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair