Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50021720   

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))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human LXRbeta expressed in Huh7 cells by Gal4 transactivation assay				Bioorg Med Chem Lett 18: 54-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.013 BindingDB Entry DOI: 10.7270/Q2N879JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50227147 (2-(5-((3-(8-(trifluoromethyl)quinolin-4-yl)phenyl)...) Show SMILES OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3ccnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)25-11-3-10-24-22(13-14-33-28(24)25)19-6-1-5-18(15-19)17-34-26-12-4-8-21-20(16-27(35)36)7-2-9-23(21)26/h1-15,34H,16-17H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	622	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human LXRbeta expressed in Huh7 cells by Gal4 transactivation assay				Bioorg Med Chem Lett 18: 54-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.013 BindingDB Entry DOI: 10.7270/Q2N879JT
					More data for this Ligand-Target Pair
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	178	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human LXRbeta expressed in Huh7 cells by Gal4 transactivation assay				Bioorg Med Chem Lett 18: 54-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.013 BindingDB Entry DOI: 10.7270/Q2N879JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50227151 (2-(5-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3c(Cc4ccccc4)cnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C36H27F3N2O2/c37-36(38,39)31-16-6-15-30-34(27(22-41-35(30)31)18-23-8-2-1-3-9-23)26-12-4-10-24(19-26)21-40-32-17-7-13-28-25(20-33(42)43)11-5-14-29(28)32/h1-17,19,22,40H,18,20-21H2,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	355	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human LXRbeta expressed in Huh7 cells by Gal4 transactivation assay				Bioorg Med Chem Lett 18: 54-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.013 BindingDB Entry DOI: 10.7270/Q2N879JT
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50227145 (2-(5-((3-(3-methyl-8-(trifluoromethyl)quinolin-4-y...) Show SMILES Cc1cnc2c(cccc2c1-c1cccc(CNc2cccc3c(CC(O)=O)cccc23)c1)C(F)(F)F Show InChI InChI=1S/C30H23F3N2O2/c1-18-16-35-29-24(11-4-12-25(29)30(31,32)33)28(18)21-8-2-6-19(14-21)17-34-26-13-5-9-22-20(15-27(36)37)7-3-10-23(22)26/h2-14,16,34H,15,17H2,1H3,(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human LXRbeta expressed in Huh7 cells by Gal4 transactivation assay				Bioorg Med Chem Lett 18: 54-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.013 BindingDB Entry DOI: 10.7270/Q2N879JT
					More data for this Ligand-Target Pair