Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-alpha' and Ligand = 'BDBM50192139'   

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 (Homo sapiens (Human))	BDBM50192139 (CHEMBL214687 | methyl 3-(4-(2-((2-chloro-4-(1,1,1,...) Show SMILES CCN(C(COc1ccc(CCC(=O)OC)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H28ClF6NO4/c1-3-37(24-15-12-21(17-23(24)30)27(39,28(31,32)33)29(34,35)36)25(20-7-5-4-6-8-20)18-41-22-13-9-19(10-14-22)11-16-26(38)40-2/h4-10,12-15,17,25,39H,3,11,16,18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRalpha by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50192139 (CHEMBL214687 | methyl 3-(4-(2-((2-chloro-4-(1,1,1,...) Show SMILES CCN(C(COc1ccc(CCC(=O)OC)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H28ClF6NO4/c1-3-37(24-15-12-21(17-23(24)30)27(39,28(31,32)33)29(34,35)36)25(20-7-5-4-6-8-20)18-41-22-13-9-19(10-14-22)11-16-26(38)40-2/h4-10,12-15,17,25,39H,3,11,16,18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Transactivation of LXRalpha by luciferase reporter gene assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair