Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-alpha' and Ligand = 'BDBM304673'   

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))	BDBM304673 ((S)-1-(((3S,6r)-1,1-difluorospiro[2.5]octan-6-yl)m...) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(C[C@H]2CC[C@@]3(CC3(F)F)CC2)[C@H](C1)c1ccccc1 |r,wU:15.15,18.19,wD:25.30,(5.49,-17.43,;5.49,-18.97,;7.03,-18.97,;3.95,-18.97,;5.49,-20.51,;6.83,-21.28,;6.83,-22.82,;5.49,-23.59,;4.16,-22.82,;4.16,-21.28,;2.83,-23.59,;1.49,-22.82,;.16,-23.59,;.16,-25.13,;-1.17,-25.9,;-2.51,-25.13,;-3.84,-25.9,;-5.18,-25.13,;-5.18,-23.59,;-6.72,-23.59,;-5.95,-22.25,;-4.86,-21.17,;-7.03,-21.17,;-3.84,-22.82,;-2.51,-23.59,;1.49,-25.9,;2.83,-25.13,;1.49,-27.44,;.16,-28.21,;.16,-29.75,;1.49,-30.52,;2.83,-29.75,;2.83,-28.21,)| Show InChI InChI=1S/C26H32F2N2O2S/c1-33(31,32)23-9-5-8-22(16-23)29-14-15-30(24(18-29)21-6-3-2-4-7-21)17-20-10-12-25(13-11-20)19-26(25,27)28/h2-9,16,20,24H,10-15,17-19H2,1H3/t20-,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	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
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