Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-beta' and Ligand = 'BDBM50305077'   

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))	BDBM50305077 (3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...) Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method				Bioorg Med Chem Lett 20: 689-93 (2010) Article DOI: 10.1016/j.bmcl.2009.11.062 BindingDB Entry DOI: 10.7270/Q2W66KV8
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50305077 (3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...) Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	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: 209-12 (2010) Article DOI: 10.1016/j.bmcl.2009.10.132 BindingDB Entry DOI: 10.7270/Q2KW5G4B
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50305077 (3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...) Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	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
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50305077 (3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...) Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	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: 521-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.098 BindingDB Entry DOI: 10.7270/Q27D2W3S
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50305077 (3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...) Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	183	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human Gal4-LBD fused LXRbeta LBD expressed in Huh7 cells by transient transactivation assay				Bioorg Med Chem Lett 20: 521-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.098 BindingDB Entry DOI: 10.7270/Q27D2W3S
					More data for this Ligand-Target Pair