Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-alpha/LXR-beta'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Oxysterols receptor LXR-alpha/LXR-beta (Homo sapiens (Human))	BDBM50122619 (CHEMBL3623107) Show SMILES COc1ccc(\C=C\c2ccccc2N2C(=O)c3ccccc3C2=O)cc1OC Show InChI InChI=1S/C24H19NO4/c1-28-21-14-12-16(15-22(21)29-2)11-13-17-7-3-6-10-20(17)25-23(26)18-8-4-5-9-19(18)24(25)27/h3-15H,1-2H3/b13-11+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Transrepression activity of LXR in human THP1 cells assessed as inhibition of LPS-induced IL-6 level after 18 hrs by ELISA				ACS Med Chem Lett 6: 902-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00170 BindingDB Entry DOI: 10.7270/Q2VM4F2C
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/LXR-beta (Homo sapiens (Human))	BDBM50396601 (CHEMBL2171902) Show SMILES CN1c2ccc(O)cc2C(=C)c2ccccc2C1=O Show InChI InChI=1S/C16H13NO2/c1-10-12-5-3-4-6-13(12)16(19)17(2)15-8-7-11(18)9-14(10)15/h3-9,18H,1H2,2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Transrepression activity of LXR in human THP1 cells assessed as inhibition of LPS-induced IL-6 level after 18 hrs by ELISA				ACS Med Chem Lett 6: 902-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00170 BindingDB Entry DOI: 10.7270/Q2VM4F2C
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/LXR-beta (Homo sapiens (Human))	BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Transrepression activity of LXR in human THP1 cells assessed as inhibition of LPS-induced IL-6 level after 18 hrs by ELISA				ACS Med Chem Lett 6: 902-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00170 BindingDB Entry DOI: 10.7270/Q2VM4F2C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha/LXR-beta (Homo sapiens (Human))	BDBM28802 (2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...) Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F Show InChI InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at human LXR by transactivation assay				ACS Med Chem Lett 7: 590-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00033 BindingDB Entry DOI: 10.7270/Q2CR5W99
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha/LXR-beta (Homo sapiens (Human))	BDBM50177015 (CHEMBL3814206 | US10144715, Compound 19-1) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H27F3N4O4S/c1-13(2)17-10-27(16-5-4-14(11-29)18(8-16)33(3,31)32)6-7-28(17)20-25-9-15(12-30)19(26-20)21(22,23)24/h4-5,8-9,13,17,29-30H,6-7,10-12H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at LXR in human THP1 cells assessed as upregulation of ABCA1 gene expression after 24 hrs by RT-PCR analysis				J Med Chem 59: 3264-71 (2016) Article DOI: 10.1021/acs.jmedchem.5b02029 BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha/LXR-beta (Homo sapiens (Human))	BDBM50177015 (CHEMBL3814206 | US10144715, Compound 19-1) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H27F3N4O4S/c1-13(2)17-10-27(16-5-4-14(11-29)18(8-16)33(3,31)32)6-7-28(17)20-25-9-15(12-30)19(26-20)21(22,23)24/h4-5,8-9,13,17,29-30H,6-7,10-12H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at LXR in human HepG2 cells assessed as upregulation of SREBP1C gene expression after 24 hrs by RT-PCR analysis				J Med Chem 59: 3264-71 (2016) Article DOI: 10.1021/acs.jmedchem.5b02029 BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair				3D Structure (crystal)