Compile Data Set for Download or QSAR

Found 551 hits with Last Name = 'blum' and Initial = 'd'   

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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	503	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50499695 (CHEMBL3740969) Show SMILES Cl.[H][C@]12CN(CCCCc3ccccc3)C(=N)N1Cc1ccccc1C2 |r| Show InChI InChI=1S/C21H25N3.ClH/c22-21-23(13-7-6-10-17-8-2-1-3-9-17)16-20-14-18-11-4-5-12-19(18)15-24(20)21;/h1-5,8-9,11-12,20,22H,6-7,10,13-16H2;1H/t20-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50499688 (CHEMBL3741465) Show SMILES [H][C@@]12Cc3ccccc3CN1C(=O)N(Cc1ccccc1)C2=O |r| Show InChI InChI=1S/C18H16N2O2/c21-17-16-10-14-8-4-5-9-15(14)12-19(16)18(22)20(17)11-13-6-2-1-3-7-13/h1-9,16H,10-12H2/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50499696 (CHEMBL3741290) Show SMILES Cl.[H][C@]12CN(Cc3ccccc3)C(=N)N1Cc1ccccc1C2 |r| Show InChI InChI=1S/C18H19N3.ClH/c19-18-20(11-14-6-2-1-3-7-14)13-17-10-15-8-4-5-9-16(15)12-21(17)18;/h1-9,17,19H,10-13H2;1H/t17-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50499693 (CHEMBL3741891) Show SMILES Cl.N=C1N[C@@H](Cc2ccccc2)CN1Cc1ccccc1 |r| Show InChI InChI=1S/C17H19N3.ClH/c18-17-19-16(11-14-7-3-1-4-8-14)13-20(17)12-15-9-5-2-6-10-15;/h1-10,16H,11-13H2,(H2,18,19);1H/t16-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50499700 (CHEMBL3740044) Show SMILES Cl.Fc1ccc(C[C@H]2CN(Cc3ccccc3)C(=N)N2)cc1 |r| Show InChI InChI=1S/C17H18FN3.ClH/c18-15-8-6-13(7-9-15)10-16-12-21(17(19)20-16)11-14-4-2-1-3-5-14;/h1-9,16H,10-12H2,(H2,19,20);1H/t16-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50499697 (CHEMBL3742187) Show SMILES Cl.[H][C@]12CN(Cc3ccccc3)C(=N)N1CCCC2 |r| Show InChI InChI=1S/C14H19N3.ClH/c15-14-16(10-12-6-2-1-3-7-12)11-13-8-4-5-9-17(13)14;/h1-3,6-7,13,15H,4-5,8-11H2;1H/t13-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50499698 (CHEMBL3741961) Show SMILES Cl.COc1ccc(C[C@H]2CN(Cc3ccccc3)C(=N)N2)cc1 |r| Show InChI InChI=1S/C18H21N3O.ClH/c1-22-17-9-7-14(8-10-17)11-16-13-21(18(19)20-16)12-15-5-3-2-4-6-15;/h2-10,16H,11-13H2,1H3,(H2,19,20);1H/t16-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50499699 (CHEMBL3740794) Show SMILES Cl.Cl.[H][C@]12CN(CCN3CCOCC3)C(=N)N1Cc1ccccc1C2 |r| Show InChI InChI=1S/C17H24N4O.2ClH/c18-17-20(6-5-19-7-9-22-10-8-19)13-16-11-14-3-1-2-4-15(14)12-21(16)17;;/h1-4,16,18H,5-13H2;2*1H/t16-;;/m0../s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50499692 (CHEMBL3740409) Show SMILES Cl.CN1C(Cc2ccccc2)CN(Cc2ccccc2)C1=N Show InChI InChI=1S/C18H21N3.ClH/c1-20-17(12-15-8-4-2-5-9-15)14-21(18(20)19)13-16-10-6-3-7-11-16;/h2-11,17,19H,12-14H2,1H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50499691 (CHEMBL3740229) Show SMILES Cl.C[C@H]1CN(Cc2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C11H15N3.ClH/c1-9-7-14(11(12)13-9)8-10-5-3-2-4-6-10;/h2-6,9H,7-8H2,1H3,(H2,12,13);1H/t9-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50499690 (CHEMBL3740152) Show SMILES Cl.Oc1ccc(C[C@H]2CN(Cc3ccccc3)C(=N)N2)cc1 |r| Show InChI InChI=1S/C17H19N3O.ClH/c18-17-19-15(10-13-6-8-16(21)9-7-13)12-20(17)11-14-4-2-1-3-5-14;/h1-9,15,21H,10-12H2,(H2,18,19);1H/t15-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50499689 (CHEMBL3741118) Show SMILES Cl.Cl.[H][C@]12CN(CCc3ccccn3)C(=N)N1Cc1ccccc1C2 |r| Show InChI InChI=1S/C18H20N4.2ClH/c19-18-21(10-8-16-7-3-4-9-20-16)13-17-11-14-5-1-2-6-15(14)12-22(17)18;;/h1-7,9,17,19H,8,10-13H2;2*1H/t17-;;/m0../s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50499694 (CHEMBL3739476) Show SMILES Cl.[H][C@]12CN(CCCCCC)C(=N)N1Cc1ccccc1C2 |r| Show InChI InChI=1S/C17H25N3.ClH/c1-2-3-4-7-10-19-13-16-11-14-8-5-6-9-15(14)12-20(16)17(19)18;/h5-6,8-9,16,18H,2-4,7,10-13H2,1H3;1H/t16-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50336375 ((S)-1-(4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-be...) Show SMILES OC(=O)C1(CC1)Oc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r| Show InChI InChI=1S/C31H27ClF3N3O4/c32-19-8-6-18(7-9-19)28-36-25-15-21(33)22(34)16-26(25)38(28)27(17-4-2-1-3-5-17)29(39)37-24-11-10-20(14-23(24)35)42-31(12-13-31)30(40)41/h6-11,14-17,27H,1-5,12-13H2,(H,37,39)(H,40,41)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human FXR by scintillation proximity assay				Bioorg Med Chem Lett 21: 1134-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.123 BindingDB Entry DOI: 10.7270/Q2MS3T1N
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50277469 (2-(S)-2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-...) Show SMILES CC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C29H28N2O5/c1-19(32)24-10-6-7-11-26(24)30-27(29(33)34)18-21-12-14-23(15-13-21)35-17-16-25-20(2)36-28(31-25)22-8-4-3-5-9-22/h3-15,27,30H,16-18H2,1-2H3,(H,33,34)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50192109 (2-(4-(benzyl(2,2,2-trifluoroethyl)amino)-3-chlorop...) Show SMILES OC(c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Cl)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H13ClF9NO/c19-13-8-12(16(30,17(23,24)25)18(26,27)28)6-7-14(13)29(10-15(20,21)22)9-11-4-2-1-3-5-11/h1-8,30H,9-10H2	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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRalpha by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50277821 (2-(hexyloxy)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl...) Show SMILES CCCCCCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O Show InChI InChI=1S/C29H33NO5S/c1-3-4-5-9-16-33-26(29(31)32)19-22-12-13-25(23-15-18-36-27(22)23)34-17-14-24-20(2)35-28(30-24)21-10-7-6-8-11-21/h6-8,10-13,15,18,26H,3-5,9,14,16-17,19H2,1-2H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50277900 ((S)-3-(4-(2-(2-(4-isopropylphenyl)-5-methyloxazol-...) Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccc(cc2)C(C)C)c2ccsc12)C(O)=O |r| Show InChI InChI=1S/C27H29NO5S/c1-16(2)18-5-7-19(8-6-18)26-28-22(17(3)33-26)11-13-32-23-10-9-20(15-24(31-4)27(29)30)25-21(23)12-14-34-25/h5-10,12,14,16,24H,11,13,15H2,1-4H3,(H,29,30)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50277933 ((S)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)b...) Show SMILES CCCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O |r| Show InChI InChI=1S/C26H27NO5S/c1-3-13-30-23(26(28)29)16-19-9-10-22(20-12-15-33-24(19)20)31-14-11-21-17(2)32-25(27-21)18-7-5-4-6-8-18/h4-10,12,15,23H,3,11,13-14,16H2,1-2H3,(H,28,29)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50277974 ((S)-2-(cyclopropylmethoxy)-3-(4-(2-(5-methyl-2-phe...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](OCC2CC2)C(O)=O)c2sccc12)-c1ccccc1 |r| Show InChI InChI=1S/C27H27NO5S/c1-17-22(28-26(33-17)19-5-3-2-4-6-19)11-13-31-23-10-9-20(25-21(23)12-14-34-25)15-24(27(29)30)32-16-18-7-8-18/h2-6,9-10,12,14,18,24H,7-8,11,13,15-16H2,1H3,(H,29,30)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192148 (2-(3-chloro-4-(ethyl(thiazol-4-ylmethyl)amino)phen...) Show SMILES CCN(Cc1cscn1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H13ClF6N2OS/c1-2-24(6-10-7-26-8-23-10)12-4-3-9(5-11(12)16)13(25,14(17,18)19)15(20,21)22/h3-5,7-8,25H,2,6H2,1H3	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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRbeta by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50192137 (2-(3-chloro-4-(((2-(3-chlorophenyl)-5-methyloxazol...) Show SMILES CCN(Cc1nc(oc1C)-c1cccc(Cl)c1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H18Cl2F6N2O2/c1-3-32(11-17-12(2)34-19(31-17)13-5-4-6-15(23)9-13)18-8-7-14(10-16(18)24)20(33,21(25,26)27)22(28,29)30/h4-10,33H,3,11H2,1-2H3	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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRalpha by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50277820 (2-isobutoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)...) Show SMILES CC(C)COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O Show InChI InChI=1S/C27H29NO5S/c1-17(2)16-32-24(27(29)30)15-20-9-10-23(21-12-14-34-25(20)21)31-13-11-22-18(3)33-26(28-22)19-7-5-4-6-8-19/h4-10,12,14,17,24H,11,13,15-16H2,1-3H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50277931 ((S)-3-(4-(2-(2-(3,5-dimethoxyphenyl)-5-methyloxazo...) Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cc(OC)cc(OC)c2)c2ccsc12)C(O)=O |r| Show InChI InChI=1S/C26H27NO7S/c1-15-21(27-25(34-15)17-11-18(30-2)14-19(12-17)31-3)7-9-33-22-6-5-16(13-23(32-4)26(28)29)24-20(22)8-10-35-24/h5-6,8,10-12,14,23H,7,9,13H2,1-4H3,(H,28,29)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50277934 ((S)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)b...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](OCC(F)(F)F)C(O)=O)c2sccc12)-c1ccccc1 |r| Show InChI InChI=1S/C25H22F3NO5S/c1-15-19(29-23(34-15)16-5-3-2-4-6-16)9-11-32-20-8-7-17(22-18(20)10-12-35-22)13-21(24(30)31)33-14-25(26,27)28/h2-8,10,12,21H,9,11,13-14H2,1H3,(H,30,31)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50277975 ((S)-3-(4-(2-(2-(biphenyl-4-yl)-5-methyloxazol-4-yl...) Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)c2ccsc12)C(O)=O |r| Show InChI InChI=1S/C31H29NO5S/c1-3-35-28(31(33)34)19-24-13-14-27(25-16-18-38-29(24)25)36-17-15-26-20(2)37-30(32-26)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-14,16,18,28H,3,15,17,19H2,1-2H3,(H,33,34)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192144 (2-(3-chloro-4-(ethyl(phenethyl)amino)phenyl)-1,1,1...) Show SMILES CCN(CCc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H18ClF6NO/c1-2-27(11-10-13-6-4-3-5-7-13)16-9-8-14(12-15(16)20)17(28,18(21,22)23)19(24,25)26/h3-9,12,28H,2,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRbeta by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192134 (2-(4-(benzyl(ethyl)amino)-3-chlorophenyl)-1,1,1,3,...) Show SMILES CCN(Cc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H16ClF6NO/c1-2-26(11-12-6-4-3-5-7-12)15-9-8-13(10-14(15)19)16(27,17(20,21)22)18(23,24)25/h3-10,27H,2,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRbeta by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50192134 (2-(4-(benzyl(ethyl)amino)-3-chlorophenyl)-1,1,1,3,...) Show SMILES CCN(Cc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H16ClF6NO/c1-2-26(11-12-6-4-3-5-7-12)15-9-8-13(10-14(15)19)16(27,17(20,21)22)18(23,24)25/h3-10,27H,2,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRalpha by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192109 (2-(4-(benzyl(2,2,2-trifluoroethyl)amino)-3-chlorop...) Show SMILES OC(c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Cl)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H13ClF9NO/c19-13-8-12(16(30,17(23,24)25)18(26,27)28)6-7-14(13)29(10-15(20,21)22)9-11-4-2-1-3-5-11/h1-8,30H,9-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRbeta by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192136 (2-(4-(ethyl((5-methyl-2-(3-(trifluoromethyl)phenyl...) Show SMILES CCN(Cc1nc(oc1C)-c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H19F9N2O2/c1-3-34(17-9-7-15(8-10-17)20(35,22(27,28)29)23(30,31)32)12-18-13(2)36-19(33-18)14-5-4-6-16(11-14)21(24,25)26/h4-11,35H,3,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRbeta by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50336376 ((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...) Show SMILES OC(=O)c1cc(F)c(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r| Show InChI InChI=1S/C28H22ClF4N3O3/c29-17-8-6-15(7-9-17)26-34-22-12-18(30)19(31)13-23(22)36(26)25(14-4-2-1-3-5-14)27(37)35-24-20(32)10-16(28(38)39)11-21(24)33/h6-14,25H,1-5H2,(H,35,37)(H,38,39)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human FXR by scintillation proximity assay				Bioorg Med Chem Lett 21: 1134-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.123 BindingDB Entry DOI: 10.7270/Q2MS3T1N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50277819 (3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo...) Show SMILES CCCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O Show InChI InChI=1S/C26H27NO5S/c1-3-13-30-23(26(28)29)16-19-9-10-22(20-12-15-33-24(19)20)31-14-11-21-17(2)32-25(27-21)18-7-5-4-6-8-18/h4-10,12,15,23H,3,11,13-14,16H2,1-2H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192137 (2-(3-chloro-4-(((2-(3-chlorophenyl)-5-methyloxazol...) Show SMILES CCN(Cc1nc(oc1C)-c1cccc(Cl)c1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H18Cl2F6N2O2/c1-3-32(11-17-12(2)34-19(31-17)13-5-4-6-15(23)9-13)18-8-7-14(10-16(18)24)20(33,21(25,26)27)22(28,29)30/h4-10,33H,3,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRbeta by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50277976 ((S)-2-(cyclopropylmethoxy)-3-(4-(2-(2-(4-isopropyl...) Show SMILES CC(C)c1ccc(cc1)-c1nc(CCOc2ccc(C[C@H](OCC3CC3)C(O)=O)c3sccc23)c(C)o1 |r| Show InChI InChI=1S/C30H33NO5S/c1-18(2)21-6-8-22(9-7-21)29-31-25(19(3)36-29)12-14-34-26-11-10-23(28-24(26)13-15-37-28)16-27(30(32)33)35-17-20-4-5-20/h6-11,13,15,18,20,27H,4-5,12,14,16-17H2,1-3H3,(H,32,33)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192117 (2-(4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...) Show SMILES CCN(Cc1nc(oc1C)-c1cccc(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H19ClF6N2O2/c1-3-31(12-18-13(2)33-19(30-18)14-5-4-6-16(23)11-14)17-9-7-15(8-10-17)20(32,21(24,25)26)22(27,28)29/h4-11,32H,3,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRbeta by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50192117 (2-(4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...) Show SMILES CCN(Cc1nc(oc1C)-c1cccc(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H19ClF6N2O2/c1-3-31(12-18-13(2)33-19(30-18)14-5-4-6-16(23)11-14)17-9-7-15(8-10-17)20(32,21(24,25)26)22(27,28)29/h4-11,32H,3,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRalpha by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50192113 (2-(3-chloro-4-(ethyl((5-methyl-2-(3-(trifluorometh...) Show SMILES CCN(Cc1nc(oc1C)-c1cccc(c1)C(F)(F)F)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H18ClF9N2O2/c1-3-35(18-8-7-14(10-16(18)24)20(36,22(28,29)30)23(31,32)33)11-17-12(2)37-19(34-17)13-5-4-6-15(9-13)21(25,26)27/h4-10,36H,3,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRalpha by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50192136 (2-(4-(ethyl((5-methyl-2-(3-(trifluoromethyl)phenyl...) Show SMILES CCN(Cc1nc(oc1C)-c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H19F9N2O2/c1-3-34(17-9-7-15(8-10-17)20(35,22(27,28)29)23(30,31)32)12-18-13(2)36-19(33-18)14-5-4-6-16(11-14)21(24,25)26/h4-11,35H,3,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRalpha by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50192144 (2-(3-chloro-4-(ethyl(phenethyl)amino)phenyl)-1,1,1...) Show SMILES CCN(CCc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H18ClF6NO/c1-2-27(11-10-13-6-4-3-5-7-13)16-9-8-14(12-15(16)20)17(28,18(21,22)23)19(24,25)26/h3-9,12,28H,2,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRalpha by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50159366 ((2S,4R)-4-Acetylsulfanyl-2-(2,4,5-trifluoro-benzyl...) Show SMILES CC(=O)S[C@@H]1C[C@@H](COCc2cc(F)c(F)cc2F)N(C1)C(=O)Oc1cccc2OCCOc12 Show InChI InChI=1S/C23H22F3NO6S/c1-13(28)34-16-8-15(12-30-11-14-7-18(25)19(26)9-17(14)24)27(10-16)23(29)33-21-4-2-3-20-22(21)32-6-5-31-20/h2-4,7,9,15-16H,5-6,8,10-12H2,1H3/t15-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pathology Curated by ChEMBL					Assay Description Inhibitory concentration against human ECE-1 by RIA				J Med Chem 48: 483-98 (2005) Article DOI: 10.1021/jm040857x BindingDB Entry DOI: 10.7270/Q2VM4D1H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50277783 (2-ethoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)eth...) Show SMILES CCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O Show InChI InChI=1S/C25H25NO5S/c1-3-29-22(25(27)28)15-18-9-10-21(19-12-14-32-23(18)19)30-13-11-20-16(2)31-24(26-20)17-7-5-4-6-8-17/h4-10,12,14,22H,3,11,13,15H2,1-2H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50277861 (3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)napht...) Show SMILES CCCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccccc12)C(O)=O Show InChI InChI=1S/C28H29NO5/c1-3-16-32-26(28(30)31)18-21-13-14-25(23-12-8-7-11-22(21)23)33-17-15-24-19(2)34-27(29-24)20-9-5-4-6-10-20/h4-14,26H,3,15-18H2,1-2H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192113 (2-(3-chloro-4-(ethyl((5-methyl-2-(3-(trifluorometh...) Show SMILES CCN(Cc1nc(oc1C)-c1cccc(c1)C(F)(F)F)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H18ClF9N2O2/c1-3-35(18-8-7-14(10-16(18)24)20(36,22(28,29)30)23(31,32)33)11-17-12(2)37-19(34-17)13-5-4-6-15(9-13)21(25,26)27/h4-10,36H,3,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRbeta by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192115 (3-(4-(2-((2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hyd...) Show SMILES CCN(C(COc1ccc(CCC(O)=O)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H26ClF6NO4/c1-2-36(23-14-11-20(16-22(23)29)26(39,27(30,31)32)28(33,34)35)24(19-6-4-3-5-7-19)17-40-21-12-8-18(9-13-21)10-15-25(37)38/h3-9,11-14,16,24,39H,2,10,15,17H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to LXRbeta by radioligand displacement assay				Bioorg Med Chem Lett 16: 5231-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.081 BindingDB Entry DOI: 10.7270/Q2HD7V80
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50336377 ((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H23ClF5N3O3/c30-18-9-6-16(7-10-18)26-36-23-13-20(31)21(32)14-24(23)38(26)25(15-4-2-1-3-5-15)27(39)37-22-11-8-17(28(40)41)12-19(22)29(33,34)35/h6-15,25H,1-5H2,(H,37,39)(H,40,41)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human FXR by scintillation proximity assay				Bioorg Med Chem Lett 21: 1134-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.123 BindingDB Entry DOI: 10.7270/Q2MS3T1N
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50336378 ((S)-2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo[d]...) Show SMILES Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccc(cc3F)-c3nnn[nH]3)c2cc1F |r| Show InChI InChI=1S/C28H23ClF3N7O/c29-18-9-6-16(7-10-18)27-33-23-13-19(30)20(31)14-24(23)39(27)25(15-4-2-1-3-5-15)28(40)34-22-11-8-17(12-21(22)32)26-35-37-38-36-26/h6-15,25H,1-5H2,(H,34,40)(H,35,36,37,38)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human FXR by scintillation proximity assay				Bioorg Med Chem Lett 21: 1134-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.123 BindingDB Entry DOI: 10.7270/Q2MS3T1N
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50277899 ((S)-3-(4-(2-(2-(3,5-dimethylphenyl)-5-methyloxazol...) Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cc(C)cc(C)c2)c2ccsc12)C(O)=O |r| Show InChI InChI=1S/C26H27NO5S/c1-15-11-16(2)13-19(12-15)25-27-21(17(3)32-25)7-9-31-22-6-5-18(14-23(30-4)26(28)29)24-20(22)8-10-33-24/h5-6,8,10-13,23H,7,9,14H2,1-4H3,(H,28,29)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50278029 ((S)-3-(4-(2-(2-(biphenyl-4-yl)-5-methyloxazol-4-yl...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](OCC(F)(F)F)C(O)=O)c2ccccc12)-c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C33H28F3NO5/c1-21-28(37-31(42-21)24-13-11-23(12-14-24)22-7-3-2-4-8-22)17-18-40-29-16-15-25(26-9-5-6-10-27(26)29)19-30(32(38)39)41-20-33(34,35)36/h2-16,30H,17-20H2,1H3,(H,38,39)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...				Bioorg Med Chem Lett 19: 2468-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3
					More data for this Ligand-Target Pair

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