Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'baffic' and Initial = 'j'   

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))	BDBM50167698 (13-hydroxy-2,6-dimethyl-(2S,7R)-tricyclo[8.4.0.02,...) Show SMILES CC1(CCCC2(C)C1CCc1ccc(O)cc21)C(=O)OC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(35)19-25(21)31)29(37)39-30(38)34(4)18-6-16-32(2)26-20-24(36)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,35-36H,5-6,9-10,13-18H2,1-4H3/t27-,28?,31-,32?,33?,34?/m1/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167697 ((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-alpha in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167697 ((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167694 (2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....) Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21 Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-alpha in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167698 (13-hydroxy-2,6-dimethyl-(2S,7R)-tricyclo[8.4.0.02,...) Show SMILES CC1(CCCC2(C)C1CCc1ccc(O)cc21)C(=O)OC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(35)19-25(21)31)29(37)39-30(38)34(4)18-6-16-32(2)26-20-24(36)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,35-36H,5-6,9-10,13-18H2,1-4H3/t27-,28?,31-,32?,33?,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-alpha in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167694 (2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....) Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21 Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167700 ((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...) Show SMILES CC1(COC(=O)[C@@]2(C)CCC[C@@]3(C)[C@H]2CCc2ccc(O)cc32)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H44O4/c1-31(15-5-16-32(2)26-19-24(35)11-7-22(26)9-13-28(31)32)21-38-30(37)34(4)18-6-17-33(3)27-20-25(36)12-8-23(27)10-14-29(33)34/h7-8,11-12,19-20,28-29,35-36H,5-6,9-10,13-18,21H2,1-4H3/t28-,29+,31?,32+,33+,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167700 ((1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9...) Show SMILES CC1(COC(=O)[C@@]2(C)CCC[C@@]3(C)[C@H]2CCc2ccc(O)cc32)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H44O4/c1-31(15-5-16-32(2)26-19-24(35)11-7-22(26)9-13-28(31)32)21-38-30(37)34(4)18-6-17-33(3)27-20-25(36)12-8-23(27)10-14-29(33)34/h7-8,11-12,19-20,28-29,35-36H,5-6,9-10,13-18,21H2,1-4H3/t28-,29+,31?,32+,33+,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50126018 (2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...) Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167695 (13-[13-hydroxy-2,6-dimethyl-(2S,6S,7R)-tricyclo[8....) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(OC(=O)[C@@]3(C)CCC[C@@]4(C)[C@H]3CCc3ccc(O)cc43)cc21)C(O)=O Show InChI InChI=1S/C34H42O5/c1-31-16-6-18-34(4,28(31)14-10-21-7-11-23(35)19-25(21)31)30(38)39-24-12-8-22-9-13-27-32(2,26(22)20-24)15-5-17-33(27,3)29(36)37/h7-8,11-12,19-20,27-28,35H,5-6,9-10,13-18H2,1-4H3,(H,36,37)/t27-,28-,31-,32-,33?,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50126018 (2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...) Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-alpha in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167699 (1-((9R,10S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,1...) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)CC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C35H44O4/c1-32-15-5-17-34(3,28(32)13-9-22-7-11-24(36)19-26(22)32)30(38)21-31(39)35(4)18-6-16-33(2)27-20-25(37)12-8-23(27)10-14-29(33)35/h7-8,11-12,19-20,28-29,36-37H,5-6,9-10,13-18,21H2,1-4H3/t28-,29-,32-,33-,34+,35?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167695 (13-[13-hydroxy-2,6-dimethyl-(2S,6S,7R)-tricyclo[8....) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(OC(=O)[C@@]3(C)CCC[C@@]4(C)[C@H]3CCc3ccc(O)cc43)cc21)C(O)=O Show InChI InChI=1S/C34H42O5/c1-31-16-6-18-34(4,28(31)14-10-21-7-11-23(35)19-25(21)31)30(38)39-24-12-8-22-9-13-27-32(2,26(22)20-24)15-5-17-33(27,3)29(36)37/h7-8,11-12,19-20,27-28,35H,5-6,9-10,13-18H2,1-4H3,(H,36,37)/t27-,28-,31-,32-,33?,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167699 (1-((9R,10S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,1...) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)CC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C35H44O4/c1-32-15-5-17-34(3,28(32)13-9-22-7-11-24(36)19-26(22)32)30(38)21-31(39)35(4)18-6-16-33(2)27-20-25(37)12-8-23(27)10-14-29(33)35/h7-8,11-12,19-20,28-29,36-37H,5-6,9-10,13-18,21H2,1-4H3/t28-,29-,32-,33-,34+,35?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167696 ((1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-6-hydr...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(O)=O |r| Show InChI InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-alpha in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167696 ((1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-6-hydr...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(O)=O |r| Show InChI InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167694 (2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....) Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21 Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167698 (13-hydroxy-2,6-dimethyl-(2S,7R)-tricyclo[8.4.0.02,...) Show SMILES CC1(CCCC2(C)C1CCc1ccc(O)cc21)C(=O)OC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(35)19-25(21)31)29(37)39-30(38)34(4)18-6-16-32(2)26-20-24(36)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,35-36H,5-6,9-10,13-18H2,1-4H3/t27-,28?,31-,32?,33?,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20177 ((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...) Show SMILES [H][C@@](O)(CCC(C)C)[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:19| Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for cofactor association with recombinant liver X receptor-alpha				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50126018 (2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...) Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for cofactor association with recombinant liver X receptor-alpha				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167697 ((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for cofactor association with recombinant liver X receptor-alpha				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167698 (13-hydroxy-2,6-dimethyl-(2S,7R)-tricyclo[8.4.0.02,...) Show SMILES CC1(CCCC2(C)C1CCc1ccc(O)cc21)C(=O)OC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(35)19-25(21)31)29(37)39-30(38)34(4)18-6-16-32(2)26-20-24(36)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,35-36H,5-6,9-10,13-18H2,1-4H3/t27-,28?,31-,32?,33?,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for cofactor association with recombinant liver X receptor-beta				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167694 (2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....) Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21 Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for cofactor association with recombinant liver X receptor-beta				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20177 ((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...) Show SMILES [H][C@@](O)(CCC(C)C)[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:19| Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for cofactor association with recombinant liver X receptor-beta				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167699 (1-((9R,10S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,1...) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)CC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C35H44O4/c1-32-15-5-17-34(3,28(32)13-9-22-7-11-24(36)19-26(22)32)30(38)21-31(39)35(4)18-6-16-33(2)27-20-25(37)12-8-23(27)10-14-29(33)35/h7-8,11-12,19-20,28-29,36-37H,5-6,9-10,13-18,21H2,1-4H3/t28-,29-,32-,33-,34+,35?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for cofactor association with recombinant liver X receptor-alpha				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167694 (2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....) Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21 Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for cofactor association with recombinant liver X receptor-alpha				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167698 (13-hydroxy-2,6-dimethyl-(2S,7R)-tricyclo[8.4.0.02,...) Show SMILES CC1(CCCC2(C)C1CCc1ccc(O)cc21)C(=O)OC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(35)19-25(21)31)29(37)39-30(38)34(4)18-6-16-32(2)26-20-24(36)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,35-36H,5-6,9-10,13-18H2,1-4H3/t27-,28?,31-,32?,33?,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for cofactor association with recombinant liver X receptor-alpha				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167697 ((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167696 ((1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-6-hydr...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(O)=O |r| Show InChI InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for cofactor association with recombinant liver X receptor-alpha				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167696 ((1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-6-hydr...) Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(O)=O |r| Show InChI InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for cofactor association with recombinant liver X receptor-beta				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50126018 (2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...) Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167694 (2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....) Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21 Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against liver X receptor-beta in HEK293 cell transactivation assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167697 ((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for cofactor association with recombinant liver X receptor-beta				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167698 (13-hydroxy-2,6-dimethyl-(2S,7R)-tricyclo[8.4.0.02,...) Show SMILES CC1(CCCC2(C)C1CCc1ccc(O)cc21)C(=O)OC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(35)19-25(21)31)29(37)39-30(38)34(4)18-6-16-32(2)26-20-24(36)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,35-36H,5-6,9-10,13-18H2,1-4H3/t27-,28?,31-,32?,33?,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against liver X receptor-beta in HEK293 cell transactivation assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167697 ((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against liver X receptor-beta in HEK293 cell transactivation assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50126018 (2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...) Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for cofactor association with recombinant liver X receptor-alpha				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50126018 (2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...) Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against liver X receptor-beta in HEK293 cell transactivation assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50126018 (2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...) Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for cofactor association with recombinant liver X receptor-beta				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair