Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-alpha' and Ligand = 'BDBM50172204'   

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))	BDBM50172204 ((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C30H39NO2/c1-28-16-9-17-29(2,26(28)15-13-22-12-14-24(32)20-25(22)28)27(33)31-21-30(18-7-4-8-19-30)23-10-5-3-6-11-23/h3,5-6,10-12,14,20,26,32H,4,7-9,13,15-19,21H2,1-2H3,(H,31,33)/t26-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration in LXRSPA alpha binding assay				Bioorg Med Chem Lett 15: 4574-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.100 BindingDB Entry DOI: 10.7270/Q2154GKK
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50172204 ((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C30H39NO2/c1-28-16-9-17-29(2,26(28)15-13-22-12-14-24(32)20-25(22)28)27(33)31-21-30(18-7-4-8-19-30)23-10-5-3-6-11-23/h3,5-6,10-12,14,20,26,32H,4,7-9,13,15-19,21H2,1-2H3,(H,31,33)/t26-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor				Bioorg Med Chem Lett 15: 4574-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.100 BindingDB Entry DOI: 10.7270/Q2154GKK
					More data for this Ligand-Target Pair