Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50040856   

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-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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Agonist activity at human LXR-beta assessed as increase in recruitment of Trap 220/D22 coactivator peptide by TR-FRET assay				Bioorg Med Chem Lett 22: 4094-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.071 BindingDB Entry DOI: 10.7270/Q25D8SZD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50401084 (CHEMBL2204435) Show SMILES CCOC(=O)c1c(O)cc(O)cc1O Show InChI InChI=1S/C9H10O5/c1-2-14-9(13)8-6(11)3-5(10)4-7(8)12/h3-4,10-12H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.78E+4	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Transactivation of human LXR-beta transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 4094-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.071 BindingDB Entry DOI: 10.7270/Q25D8SZD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50401084 (CHEMBL2204435) Show SMILES CCOC(=O)c1c(O)cc(O)cc1O Show InChI InChI=1S/C9H10O5/c1-2-14-9(13)8-6(11)3-5(10)4-7(8)12/h3-4,10-12H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.08E+4	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Transactivation of human LXR-alpha transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 4094-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.071 BindingDB Entry DOI: 10.7270/Q25D8SZD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50401084 (CHEMBL2204435) Show SMILES CCOC(=O)c1c(O)cc(O)cc1O Show InChI InChI=1S/C9H10O5/c1-2-14-9(13)8-6(11)3-5(10)4-7(8)12/h3-4,10-12H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.04E+3	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Agonist activity at human LXR-beta assessed as increase in recruitment of Trap 220/D22 coactivator peptide by TR-FRET assay				Bioorg Med Chem Lett 22: 4094-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.071 BindingDB Entry DOI: 10.7270/Q25D8SZD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Agonist activity at human LXR-alpha assessed as increase in recruitment of Trap 220/Drip2 coactivator peptide by TR-FRET assay				Bioorg Med Chem Lett 22: 4094-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.071 BindingDB Entry DOI: 10.7270/Q25D8SZD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50401084 (CHEMBL2204435) Show SMILES CCOC(=O)c1c(O)cc(O)cc1O Show InChI InChI=1S/C9H10O5/c1-2-14-9(13)8-6(11)3-5(10)4-7(8)12/h3-4,10-12H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Agonist activity at human LXR-alpha assessed as increase in recruitment of Trap 220/Drip2 coactivator peptide by TR-FRET assay				Bioorg Med Chem Lett 22: 4094-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.071 BindingDB Entry DOI: 10.7270/Q25D8SZD
					More data for this Ligand-Target Pair