Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50008036   

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))	BDBM50177015 (CHEMBL3814206 | US10144715, Compound 19-1) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H27F3N4O4S/c1-13(2)17-10-27(16-5-4-14(11-29)18(8-16)33(3,31)32)6-7-28(17)20-25-9-15(12-30)19(26-20)21(22,23)24/h4-5,8-9,13,17,29-30H,6-7,10-12H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM19992 (2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...) Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM26066 (2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophe...) Show SMILES Fc1ccc(cc1)-c1n(Cc2ccc(F)cc2Cl)nc2c(cccc12)C(F)(F)F Show InChI InChI=1S/C21H12ClF5N2/c22-18-10-15(24)9-6-13(18)11-29-20(12-4-7-14(23)8-5-12)16-2-1-3-17(19(16)28-29)21(25,26)27/h1-10H,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50465712 (CHEMBL4284414) Show SMILES CCOC(=O)c1ccc(CN(Cc2ccc(cc2)-c2cccc(c2)S(C)(=O)=O)S(=O)(=O)c2c(C)cc(C)cc2C)o1 Show InChI InChI=1S/C31H33NO7S2/c1-6-38-31(33)29-15-14-27(39-29)20-32(41(36,37)30-22(3)16-21(2)17-23(30)4)19-24-10-12-25(13-11-24)26-8-7-9-28(18-26)40(5,34)35/h7-18H,6,19-20H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	352	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515025 (CHEMBL4464514) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 |r| Show InChI InChI=1S/C51H65N3O8S/c1-29(36-15-16-37-34-28-43(58)42-25-33(57)18-20-50(42,3)38(34)19-21-49(36,37)2)8-17-46(59)52-22-6-4-5-7-23-53-48(63)54-30-9-12-39-35(24-30)47(60)62-51(39)40-13-10-31(55)26-44(40)61-45-27-32(56)11-14-41(45)51/h9-14,24,26-27,29,33-34,36-38,42-43,55-58H,4-8,15-23,25,28H2,1-3H3,(H,52,59)(H2,53,54,63)/t29-,33-,34+,36-,37+,38+,42+,43+,49-,50-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515031 (CHEMBL4528250) Show SMILES CC(C)(C)OC(=O)N1Cc2cn[nH]c2C(C)(C)C1 Show InChI InChI=1S/C13H21N3O2/c1-12(2,3)18-11(17)16-7-9-6-14-15-10(9)13(4,5)8-16/h6H,7-8H2,1-5H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515029 (CHEMBL4468234) Show SMILES COC(=O)c1ccc2CN(CCn12)C(=O)OC(C)(C)C Show InChI InChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-7-8-16-10(9-15)5-6-11(16)12(17)19-4/h5-6H,7-9H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515032 (CHEMBL4524585) Show SMILES COC(=O)CC1CC2CC(F)(F)C(C1)N2Cc1ccccc1 |TLB:15:14:9.8:6.5.13| Show InChI InChI=1S/C17H21F2NO2/c1-22-16(21)9-13-7-14-10-17(18,19)15(8-13)20(14)11-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515027 (CHEMBL4522789) Show SMILES CC(C)(C)OC(=O)N1CCc2ccc(N)cc2C1 Show InChI InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515035 (CHEMBL4558077) Show SMILES CC(C)(C)OC(=O)N1CC2CC(CO)CC2C1 Show InChI InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-6-10-4-9(8-15)5-11(10)7-14/h9-11,15H,4-8H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM398051 (US10322118, Entry 9) Show SMILES Oc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM23448 (BUTYLPARABEN | Butyl paraben | Nipabutyl | butyl 4...) Show SMILES CCCCOC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515033 (CHEBI:38957 | CHEMBL3183502) Show SMILES Oc1ccc(Sc2ccc(O)cc2)cc1 Show InChI InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515022 (CHEMBL4483515) Show SMILES CN1CCN(Cc2ccc(N)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C13H18F3N3/c1-18-4-6-19(7-5-18)9-10-2-3-11(17)8-12(10)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515030 (CHEMBL4442070) Show SMILES CCOC(=O)c1cn2nc[nH]c(=O)c2c1C(C)C Show InChI InChI=1S/C12H15N3O3/c1-4-18-12(17)8-5-15-10(9(8)7(2)3)11(16)13-6-14-15/h5-7H,4H2,1-3H3,(H,13,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515024 (CHEMBL4558933) Show SMILES CC(=O)c1c(C)ccc2ccccc12 Show InChI InChI=1S/C13H12O/c1-9-7-8-11-5-3-4-6-12(11)13(9)10(2)14/h3-8H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.53E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM36299 (4-chlorophenol) Show SMILES Oc1ccc(Cl)cc1 Show InChI InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	1.69E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167952 (3-chlorophenol | CHEMBL41172) Show SMILES Oc1cccc(Cl)c1 Show InChI InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.84E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515034 (CHEMBL4456484) Show SMILES Brc1nn(C2CCCCO2)c2ncccc12 Show InChI InChI=1S/C11H12BrN3O/c12-10-8-4-3-6-13-11(8)15(14-10)9-5-1-2-7-16-9/h3-4,6,9H,1-2,5,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.09E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515026 (CHEMBL4573961) Show SMILES CC(C)(C)OC(=O)N1Cc2cn[nH]c2C1 Show InChI InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13/h4H,5-6H2,1-3H3,(H,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM93021 (Indole-6-carboxylate | Indole-7-carboxylate) Show SMILES COC(=O)c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515023 (CHEMBL4561202) Show SMILES COc1ccc(OC)c(Cl)c1 Show InChI InChI=1S/C8H9ClO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.76E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515028 (CHEMBL4522284) Show SMILES Brc1ccc2NC(=O)OCc2c1 Show InChI InChI=1S/C8H6BrNO2/c9-6-1-2-7-5(3-6)4-12-8(11)10-7/h1-3H,4H2,(H,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM19992 (2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...) Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	289	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Agonist activity at recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as peptide D22 recruitment fluorescence polarizat...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515027 (CHEMBL4522789) Show SMILES CC(C)(C)OC(=O)N1CCc2ccc(N)cc2C1 Show InChI InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Agonist activity at recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as peptide D22 recruitment fluorescence polarizat...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167952 (3-chlorophenol | CHEMBL41172) Show SMILES Oc1cccc(Cl)c1 Show InChI InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.19E+5	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Agonist activity at recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as peptide D22 recruitment fluorescence polarizat...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515023 (CHEMBL4561202) Show SMILES COc1ccc(OC)c(Cl)c1 Show InChI InChI=1S/C8H9ClO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.03E+6	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Agonist activity at recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as peptide D22 recruitment fluorescence polarizat...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM398051 (US10322118, Entry 9) Show SMILES Oc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.93E+5	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Agonist activity at recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as peptide D22 recruitment fluorescence polarizat...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515025 (CHEMBL4464514) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 |r| Show InChI InChI=1S/C51H65N3O8S/c1-29(36-15-16-37-34-28-43(58)42-25-33(57)18-20-50(42,3)38(34)19-21-49(36,37)2)8-17-46(59)52-22-6-4-5-7-23-53-48(63)54-30-9-12-39-35(24-30)47(60)62-51(39)40-13-10-31(55)26-44(40)61-45-27-32(56)11-14-41(45)51/h9-14,24,26-27,29,33-34,36-38,42-43,55-58H,4-8,15-23,25,28H2,1-3H3,(H,52,59)(H2,53,54,63)/t29-,33-,34+,36-,37+,38+,42+,43+,49-,50-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 30 mins by...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515036 (CHEMBL4584267) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(COC(=O)CCCCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C48H49F3N6O10S2/c1-27(2)38-24-56(31-10-8-28(25-58)41(20-31)69(3,63)64)17-18-57(38)45-53-23-29(43(55-45)48(49,50)51)26-65-42(61)7-5-4-6-16-52-46(68)54-30-9-13-35-34(19-30)44(62)67-47(35)36-14-11-32(59)21-39(36)66-40-22-33(60)12-15-37(40)47/h8-15,19-23,27,38,58-60H,4-7,16-18,24-26H2,1-3H3,(H2,52,54,68)/t38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 30 mins by...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515031 (CHEMBL4528250) Show SMILES CC(C)(C)OC(=O)N1Cc2cn[nH]c2C(C)(C)C1 Show InChI InChI=1S/C13H21N3O2/c1-12(2,3)18-11(17)16-7-9-6-14-15-10(9)13(4,5)8-16/h6H,7-8H2,1-5H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Agonist activity at recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as peptide D22 recruitment fluorescence polarizat...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515029 (CHEMBL4468234) Show SMILES COC(=O)c1ccc2CN(CCn12)C(=O)OC(C)(C)C Show InChI InChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-7-8-16-10(9-15)5-6-11(16)12(17)19-4/h5-6H,7-9H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Agonist activity at recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as peptide D22 recruitment fluorescence polarizat...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM36299 (4-chlorophenol) Show SMILES Oc1ccc(Cl)cc1 Show InChI InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.14E+5	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Agonist activity at recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as peptide D22 recruitment fluorescence polarizat...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515032 (CHEMBL4524585) Show SMILES COC(=O)CC1CC2CC(F)(F)C(C1)N2Cc1ccccc1 |TLB:15:14:9.8:6.5.13| Show InChI InChI=1S/C17H21F2NO2/c1-22-16(21)9-13-7-14-10-17(18,19)15(8-13)20(14)11-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Agonist activity at recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as peptide D22 recruitment fluorescence polarizat...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50515030 (CHEMBL4442070) Show SMILES CCOC(=O)c1cn2nc[nH]c(=O)c2c1C(C)C Show InChI InChI=1S/C12H15N3O3/c1-4-18-12(17)8-5-15-10(9(8)7(2)3)11(16)13-6-14-15/h5-7H,4H2,1-3H3,(H,13,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Agonist activity at recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as peptide D22 recruitment fluorescence polarizat...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011 BindingDB Entry DOI: 10.7270/Q2BC42WH
					More data for this Ligand-Target Pair