Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-beta' and Ligand = 'BDBM50172194'   

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))	BDBM50172194 ((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)OCCC=C Show InChI InChI=1S/C21H28O3/c1-4-5-13-24-19(23)21(3)12-6-11-20(2)17-14-16(22)9-7-15(17)8-10-18(20)21/h4,7,9,14,18,22H,1,5-6,8,10-13H2,2-3H3/t18-,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration in LXRSPA beta 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-beta (Homo sapiens (Human))	BDBM50172194 ((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)OCCC=C Show InChI InChI=1S/C21H28O3/c1-4-5-13-24-19(23)21(3)12-6-11-20(2)17-14-16(22)9-7-15(17)8-10-18(20)21/h4,7,9,14,18,22H,1,5-6,8,10-13H2,2-3H3/t18-,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence 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