Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-alpha' and Ligand = 'BDBM50172206'   

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))	BDBM50172206 ((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...) Show SMILES CC(NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C12CC3CC(CC(C3)C1)C2 |TLB:25:26:30:23.24.29,THB:25:24:30:31.26.27,27:28:23:31.26.25,27:26:23:30.28.29| Show InChI InChI=1S/C29H41NO2/c1-18(29-15-19-11-20(16-29)13-21(12-19)17-29)30-26(32)28(3)10-4-9-27(2)24-14-23(31)7-5-22(24)6-8-25(27)28/h5,7,14,18-21,25,31H,4,6,8-13,15-17H2,1-3H3,(H,30,32)/t18?,19?,20?,21?,25-,27-,28+,29?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	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))	BDBM50172206 ((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,...) Show SMILES CC(NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C12CC3CC(CC(C3)C1)C2 |TLB:25:26:30:23.24.29,THB:25:24:30:31.26.27,27:28:23:31.26.25,27:26:23:30.28.29| Show InChI InChI=1S/C29H41NO2/c1-18(29-15-19-11-20(16-29)13-21(12-19)17-29)30-26(32)28(3)10-4-9-27(2)24-14-23(31)7-5-22(24)6-8-25(27)28/h5,7,14,18-21,25,31H,4,6,8-13,15-17H2,1-3H3,(H,30,32)/t18?,19?,20?,21?,25-,27-,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	140	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