Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-beta' and Ligand = 'BDBM50172187'   

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))	BDBM50172187 (1-Adamantan-1-yl-3-((1S,4aS,10aR)-1,4a-dimethyl-1,...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)CC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:25:29:22.23.28,THB:24:23:29:30.25.26,26:25:22:29.27.28,26:27:22:30.25.24| Show InChI InChI=1S/C29H38O2/c1-27-10-5-11-28(2,24(27)9-8-22-6-3-4-7-23(22)27)25(30)15-26(31)29-16-19-12-20(17-29)14-21(13-19)18-29/h3-4,6-7,19-21,24H,5,8-18H2,1-2H3/t19?,20?,21?,24-,27-,28+,29?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+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))	BDBM50172187 (1-Adamantan-1-yl-3-((1S,4aS,10aR)-1,4a-dimethyl-1,...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)CC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:25:29:22.23.28,THB:24:23:29:30.25.26,26:25:22:29.27.28,26:27:22:30.25.24| Show InChI InChI=1S/C29H38O2/c1-27-10-5-11-28(2,24(27)9-8-22-6-3-4-7-23(22)27)25(30)15-26(31)29-16-19-12-20(17-29)14-21(13-19)18-29/h3-4,6-7,19-21,24H,5,8-18H2,1-2H3/t19?,20?,21?,24-,27-,28+,29?/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