Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-beta' and Ligand = 'BDBM50306082'   

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))	BDBM50306082 (4-chloro-1-(2-chloro-5-(3-fluoro-5-(methylsulfonyl...) Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cc(F)cc(c2)S(C)(=O)=O)ccc1Cl |(24.36,-49.54,;22.82,-49.54,;21.92,-50.79,;20.45,-50.31,;19.12,-51.09,;19.12,-52.63,;17.79,-50.32,;17.79,-48.78,;19.12,-48.01,;20.45,-48.77,;21.92,-48.29,;21.9,-46.75,;23.24,-45.97,;23.22,-44.42,;24.55,-43.64,;25.89,-44.4,;25.9,-45.93,;27.23,-46.69,;27.25,-48.23,;28.56,-45.91,;28.54,-44.36,;27.2,-43.61,;29.86,-43.58,;31.19,-44.35,;30.95,-42.48,;28.76,-42.48,;21.88,-43.66,;20.54,-44.46,;20.56,-46,;19.24,-46.78,)| Show InChI InChI=1S/C21H15Cl2FN2O3S/c1-12-25-21-18(23)4-3-5-19(21)26(12)20-11-14(6-7-17(20)22)29-15-8-13(24)9-16(10-15)30(2,27)28/h3-11H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]T0901317 from human recombinant LXRbeta LBD				Bioorg Med Chem Lett 20: 526-30 (2010) Article DOI: 10.1016/j.bmcl.2009.11.099 BindingDB Entry DOI: 10.7270/Q2HT2PDZ
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