Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-beta' and Ligand = 'BDBM50094851'   

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))	BDBM50094851 (CHEMBL3589803) Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C32H40F6N2O5/c1-6-10-21-18-24(30(43,31(33,34)35)32(36,37)38)19-22(11-7-2)26(21)44-17-9-8-16-40-27(41)29(5,39-28(40)42)23-12-14-25(15-13-23)45-20(3)4/h12-15,18-20,43H,6-11,16-17H2,1-5H3,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a
Kowa Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay				Bioorg Med Chem 24: 3436-46 (2016) Article DOI: 10.1016/j.bmc.2016.05.048 BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50094851 (CHEMBL3589803) Show SMILES CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C32H40F6N2O5/c1-6-10-21-18-24(30(43,31(33,34)35)32(36,37)38)19-22(11-7-2)26(21)44-17-9-8-16-40-27(41)29(5,39-28(40)42)23-12-14-25(15-13-23)45-20(3)4/h12-15,18-20,43H,6-11,16-17H2,1-5H3,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Kowa Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at LXRbeta (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay				Bioorg Med Chem Lett 25: 2668-74 (2015) Article DOI: 10.1016/j.bmcl.2015.04.080 BindingDB Entry DOI: 10.7270/Q2PN97CM
					More data for this Ligand-Target Pair