Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-alpha' and Ligand = 'BDBM304360'   

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))	BDBM304360 ((R)-4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-isopro...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23F4N3O2S/c1-13(2)17-12-26(15-5-6-16(21)18(10-15)30(3,28)29)8-9-27(17)19-7-4-14(11-25-19)20(22,23)24/h4-7,10-11,13,17H,8-9,12H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM304360 ((R)-4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-isopro...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23F4N3O2S/c1-13(2)17-12-26(15-5-6-16(21)18(10-15)30(3,28)29)8-9-27(17)19-7-4-14(11-25-19)20(22,23)24/h4-7,10-11,13,17H,8-9,12H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM304360 ((R)-4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-isopro...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ccc(cn1)C(F)(F)F)c1ccc(F)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23F4N3O2S/c1-13(2)17-12-26(15-5-6-16(21)18(10-15)30(3,28)29)8-9-27(17)19-7-4-14(11-25-19)20(22,23)24/h4-7,10-11,13,17H,8-9,12H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	415	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description This assay is based on the ability of the LXR-LBDs (LXRα and LXRβ) to recruit and interact with a co-activator peptide. This assay was run ...				US Patent US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair