Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'jablonski' and Initial = 'p'   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50329161 ((3R,4S)-3-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-...) Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)NCCO)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H28F7N3O3/c1-24(2,16-10-17(25(28,29)30)12-18(11-16)26(31,32)33)22(38)35(3)21-14-36(23(39)34-8-9-37)13-20(21)15-4-6-19(27)7-5-15/h4-7,10-12,20-21,37H,8-9,13-14H2,1-3H3,(H,34,39)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human neurokinin NK1 receptor expressed in CHO cell				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50329160 (2-(3,5-bis(trifluoromethyl)phenyl)-N-((3R,4S)-4-(4...) Show SMILES CN([C@H]1CNC[C@@H]1c1ccc(F)cc1)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H23F7N2O/c1-21(2,14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)20(33)32(3)19-12-31-11-18(19)13-4-6-17(24)7-5-13/h4-10,18-19,31H,11-12H2,1-3H3/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human neurokinin NK1 receptor expressed in CHO cell				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50329162 ((3R,4S)-3-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-...) Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)N(CCO)CCO)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H32F7N3O4/c1-26(2,18-12-19(27(30,31)32)14-20(13-18)28(33,34)35)24(41)36(3)23-16-38(25(42)37(8-10-39)9-11-40)15-22(23)17-4-6-21(29)7-5-17/h4-7,12-14,22-23,39-40H,8-11,15-16H2,1-3H3/t22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human neurokinin NK1 receptor expressed in CHO cell				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50329163 (CHEMBL1269639 | N-((3R,4S)-1-(4-acetylpiperazine-1...) Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)C(C)=O)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C30H33F7N4O3/c1-18(42)39-9-11-40(12-10-39)27(44)41-16-24(19-5-7-23(31)8-6-19)25(17-41)38(4)26(43)28(2,3)20-13-21(29(32,33)34)15-22(14-20)30(35,36)37/h5-8,13-15,24-25H,9-12,16-17H2,1-4H3/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human neurokinin NK1 receptor expressed in CHO cell				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50329164 (2-(3,5-bis(trifluoromethyl)phenyl)-N-((3R,4S)-4-(4...) Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H33F7N4O4S/c1-27(2,19-13-20(28(31,32)33)15-21(14-19)29(34,35)36)25(41)37(3)24-17-39(16-23(24)18-5-7-22(30)8-6-18)26(42)38-9-11-40(12-10-38)45(4,43)44/h5-8,13-15,23-24H,9-12,16-17H2,1-4H3/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human neurokinin NK1 receptor expressed in CHO cell				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50329165 (2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...) Show SMILES CN([C@H]1CN(C[C@@H]1c1ccccc1)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H34F6N4O4S/c1-27(2,20-14-21(28(30,31)32)16-22(15-20)29(33,34)35)25(40)36(3)24-18-38(17-23(24)19-8-6-5-7-9-19)26(41)37-10-12-39(13-11-37)44(4,42)43/h5-9,14-16,23-24H,10-13,17-18H2,1-4H3/t23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50329164 (2-(3,5-bis(trifluoromethyl)phenyl)-N-((3R,4S)-4-(4...) Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H33F7N4O4S/c1-27(2,19-13-20(28(31,32)33)15-21(14-19)29(34,35)36)25(41)37(3)24-17-39(16-23(24)18-5-7-22(30)8-6-18)26(42)38-9-11-40(12-10-38)45(4,43)44/h5-8,13-15,23-24H,9-12,16-17H2,1-4H3/t23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50329162 ((3R,4S)-3-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-...) Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)N(CCO)CCO)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H32F7N3O4/c1-26(2,18-12-19(27(30,31)32)14-20(13-18)28(33,34)35)24(41)36(3)23-16-38(25(42)37(8-10-39)9-11-40)15-22(23)17-4-6-21(29)7-5-17/h4-7,12-14,22-23,39-40H,8-11,15-16H2,1-3H3/t22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50329161 ((3R,4S)-3-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-...) Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)NCCO)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H28F7N3O3/c1-24(2,16-10-17(25(28,29)30)12-18(11-16)26(31,32)33)22(38)35(3)21-14-36(23(39)34-8-9-37)13-20(21)15-4-6-19(27)7-5-15/h4-7,10-12,20-21,37H,8-9,13-14H2,1-3H3,(H,34,39)/t20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	298	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50329163 (CHEMBL1269639 | N-((3R,4S)-1-(4-acetylpiperazine-1...) Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)C(C)=O)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C30H33F7N4O3/c1-18(42)39-9-11-40(12-10-39)27(44)41-16-24(19-5-7-23(31)8-6-19)25(17-41)38(4)26(43)28(2,3)20-13-21(29(32,33)34)15-22(14-20)30(35,36)37/h5-8,13-15,24-25H,9-12,16-17H2,1-4H3/t24-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50329166 (((3R,4S)-3-((3,5-bis(trifluoromethyl)benzyl)(methy...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H]1CN(C[C@@H]1c1ccccc1)C(=O)N1CCN(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C26H30F6N4O3S/c1-33(15-18-12-20(25(27,28)29)14-21(13-18)26(30,31)32)23-17-35(16-22(23)19-6-4-3-5-7-19)24(37)34-8-10-36(11-9-34)40(2,38)39/h3-7,12-14,22-23H,8-11,15-17H2,1-2H3/t22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells				Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28154 (5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(no1)N(C)C)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H20ClFN4O3S/c1-28(2)21-26-20(31-27-21)22(24,32(29,30)15-6-4-3-5-7-15)13-10-16-17-12-14(23)8-9-18(17)25-19(16)11-13/h3-9,12-13,25H,10-11H2,1-2H3/t13-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	120	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28138 (methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...) Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C21H18ClF2NO4S/c1-29-20(26)21(24,30(27,28)15-4-2-3-14(23)11-15)12-5-7-16-17-10-13(22)6-8-18(17)25-19(16)9-12/h2-4,6,8,10-12,25H,5,7,9H2,1H3/t12-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	430	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28141 (methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H16ClF2NO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-13(22)10-14)11-7-15-16-9-12(21)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	360	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28152 (5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(C)no1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17ClFN3O3S/c1-12-24-20(29-26-12)21(23,30(27,28)15-5-3-2-4-6-15)13-9-16-17-11-14(22)7-8-18(17)25-19(16)10-13/h2-8,11,13,25H,9-10H2,1H3/t13-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	210	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28154 (5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(no1)N(C)C)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H20ClFN4O3S/c1-28(2)21-26-20(31-27-21)22(24,32(29,30)15-6-4-3-5-7-15)13-10-16-17-12-14(23)8-9-18(17)25-19(16)11-13/h3-9,12-13,25H,10-11H2,1-2H3/t13-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	370	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28142 (methyl (2S)-2-[(3-bromobenzene)sulfonyl]-2-[(2R)-7...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C20H16BrClFNO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-12(21)9-14)11-7-15-16-10-13(22)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	150	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28137 (methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...) Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C21H18Cl2FNO4S/c1-29-20(26)21(24,30(27,28)15-4-2-3-13(22)10-15)12-5-7-16-17-11-14(23)6-8-18(17)25-19(16)9-12/h2-4,6,8,10-12,25H,5,7,9H2,1H3/t12-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	1.81E+3	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28141 (methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H16ClF2NO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-13(22)10-14)11-7-15-16-9-12(21)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	1.35E+3	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28139 (methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(OC)c1 |r| Show InChI InChI=1S/C21H19ClFNO5S/c1-28-14-4-3-5-15(11-14)30(26,27)21(23,20(25)29-2)12-8-16-17-10-13(22)6-7-18(17)24-19(16)9-12/h3-7,10-12,24H,8-9H2,1-2H3/t12-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	160	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28139 (methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(OC)c1 |r| Show InChI InChI=1S/C21H19ClFNO5S/c1-28-14-4-3-5-15(11-14)30(26,27)21(23,20(25)29-2)12-8-16-17-10-13(22)6-7-18(17)24-19(16)9-12/h3-7,10-12,24H,8-9H2,1-2H3/t12-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	1.07E+3	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28149 (2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(C)o1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17ClFN3O3S/c1-12-25-26-20(29-12)21(23,30(27,28)15-5-3-2-4-6-15)13-9-16-17-11-14(22)7-8-18(17)24-19(16)10-13/h2-8,11,13,24H,9-10H2,1H3/t13-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	240	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28138 (methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...) Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C21H18ClF2NO4S/c1-29-20(26)21(24,30(27,28)15-4-2-3-14(23)11-15)12-5-7-16-17-10-13(22)6-8-18(17)25-19(16)9-12/h2-4,6,8,10-12,25H,5,7,9H2,1H3/t12-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	1.39E+3	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28150 (2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(o1)C1CC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H19ClFN3O3S/c24-15-8-9-19-18(12-15)17-10-14(11-20(17)26-19)23(25,22-28-27-21(31-22)13-6-7-13)32(29,30)16-4-2-1-3-5-16/h1-5,8-9,12-14,26H,6-7,10-11H2/t14-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	92	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28155 (5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(no1)C#N)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H14ClFN4O3S/c22-13-6-7-17-16(10-13)15-8-12(9-18(15)25-17)21(23,20-26-19(11-24)27-30-20)31(28,29)14-4-2-1-3-5-14/h1-7,10,12,25H,8-9H2/t12-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	160	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28137 (methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...) Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C21H18Cl2FNO4S/c1-29-20(26)21(24,30(27,28)15-4-2-3-13(22)10-15)12-5-7-16-17-11-14(23)6-8-18(17)25-19(16)9-12/h2-4,6,8,10-12,25H,5,7,9H2,1H3/t12-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	2.17E+3	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28142 (methyl (2S)-2-[(3-bromobenzene)sulfonyl]-2-[(2R)-7...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C20H16BrClFNO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-12(21)9-14)11-7-15-16-10-13(22)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	850	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28151 (5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(o1)N(C)C)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H20ClFN4O3S/c1-28(2)21-27-26-20(31-21)22(24,32(29,30)15-6-4-3-5-7-15)13-10-16-17-12-14(23)8-9-18(17)25-19(16)11-13/h3-9,12-13,25H,10-11H2,1-2H3/t13-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	76	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28134 (methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...) Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H21Cl2NO4S/c1-22(21(26)29-2,30(27,28)16-5-3-4-14(23)11-16)13-6-8-17-18-12-15(24)7-9-19(18)25-20(17)10-13/h3-5,7,9,11-13,25H,6,8,10H2,1-2H3/t13-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	1.70E+3	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28147 ((2S)-2-(benzenesulfonyl)-2-[(2R)-7-chloro-1H,2H,3H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)N(C)C)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20ClFN2O3S/c1-25(2)20(26)21(23,29(27,28)15-6-4-3-5-7-15)13-10-16-17-12-14(22)8-9-18(17)24-19(16)11-13/h3-9,12-13,24H,10-11H2,1-2H3/t13-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	110	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28152 (5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(C)no1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17ClFN3O3S/c1-12-24-20(29-26-12)21(23,30(27,28)15-5-3-2-4-6-15)13-9-16-17-11-14(22)7-8-18(17)25-19(16)10-13/h2-8,11,13,25H,9-10H2,1H3/t13-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	1.09E+3	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28150 (2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(o1)C1CC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H19ClFN3O3S/c24-15-8-9-19-18(12-15)17-10-14(11-20(17)26-19)23(25,22-28-27-21(31-22)13-6-7-13)32(29,30)16-4-2-1-3-5-16/h1-5,8-9,12-14,26H,6-7,10-11H2/t14-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	430	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28151 (5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(o1)N(C)C)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H20ClFN4O3S/c1-28(2)21-27-26-20(31-21)22(24,32(29,30)15-6-4-3-5-7-15)13-10-16-17-12-14(23)8-9-18(17)25-19(16)11-13/h3-9,12-13,25H,10-11H2,1-2H3/t13-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	890	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28131 (methyl (2S)-2-(benzenesulfonyl)-2-[(2R)-7-chloro-1...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20ClNO4S/c1-21(20(24)27-2,28(25,26)15-6-4-3-5-7-15)13-10-16-17-12-14(22)8-9-18(17)23-19(16)11-13/h3-9,12-13,23H,10-11H2,1-2H3/t13-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	250	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28145 (methyl (2S)-2-(benzenesulfonyl)-2-[(4R)-11-chloro-...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)nc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H16ClFN2O4S/c1-27-18(24)19(21,28(25,26)12-5-3-2-4-6-12)11-9-13-15(10-11)22-14-7-8-16(20)23-17(13)14/h2-8,11,22H,9-10H2,1H3/t11-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	370	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28148 (2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnco1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H15ClFN3O3S/c21-13-6-7-17-16(10-13)15-8-12(9-18(15)24-17)20(22,19-25-23-11-28-19)29(26,27)14-4-2-1-3-5-14/h1-7,10-12,24H,8-9H2/t12-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	170	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28143 (methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C19H16ClFN2O4S/c1-27-18(24)19(21,28(25,26)13-3-2-6-22-10-13)11-7-14-15-9-12(20)4-5-16(15)23-17(14)8-11/h2-6,9-11,23H,7-8H2,1H3/t11-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	340	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28135 (methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...) Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C22H21Cl2NO4S/c1-22(21(26)29-2,30(27,28)20-6-4-3-5-17(20)24)13-7-9-15-16-12-14(23)8-10-18(16)25-19(15)11-13/h3-6,8,10,12-13,25H,7,9,11H2,1-2H3/t13-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	2.08E+3	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28140 (methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C20H16Cl2FNO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-12(21)9-14)11-7-15-16-10-13(22)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	190	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28135 (methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...) Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C22H21Cl2NO4S/c1-22(21(26)29-2,30(27,28)20-6-4-3-5-17(20)24)13-7-9-15-16-12-14(23)8-10-18(16)25-19(15)11-13/h3-6,8,10,12-13,25H,7,9,11H2,1-2H3/t13-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	1.53E+3	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28134 (methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...) Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H21Cl2NO4S/c1-22(21(26)29-2,30(27,28)16-5-3-4-14(23)11-16)13-6-8-17-18-12-15(24)7-9-19(18)25-20(17)10-13/h3-5,7,9,11-13,25H,6,8,10H2,1-2H3/t13-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	2.18E+3	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28149 (2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(C)o1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17ClFN3O3S/c1-12-25-26-20(29-12)21(23,30(27,28)15-5-3-2-4-6-15)13-9-16-17-11-14(22)7-8-18(17)24-19(16)10-13/h2-8,11,13,24H,9-10H2,1H3/t13-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	1.50E+3	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28131 (methyl (2S)-2-(benzenesulfonyl)-2-[(2R)-7-chloro-1...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20ClNO4S/c1-21(20(24)27-2,28(25,26)15-6-4-3-5-7-15)13-10-16-17-12-14(22)8-9-18(17)23-19(16)11-13/h3-9,12-13,23H,10-11H2,1-2H3/t13-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	1.60E+3	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28140 (methyl (2S)-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopent...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C20H16Cl2FNO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-12(21)9-14)11-7-15-16-10-13(22)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	840	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28153 (methyl 5-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(no1)C(=O)OC)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H17ClFN3O5S/c1-31-20(28)19-26-21(32-27-19)22(24,33(29,30)14-5-3-2-4-6-14)12-9-15-16-11-13(23)7-8-17(16)25-18(15)10-12/h2-8,11-12,25H,9-10H2,1H3/t12-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+3	n/a	1.26E+3	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28147 ((2S)-2-(benzenesulfonyl)-2-[(2R)-7-chloro-1H,2H,3H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)N(C)C)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20ClFN2O3S/c1-25(2)20(26)21(23,29(27,28)15-6-4-3-5-7-15)13-10-16-17-12-14(22)8-9-18(17)24-19(16)11-13/h3-9,12-13,24H,10-11H2,1-2H3/t13-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79E+3	n/a	1.09E+3	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50520671 (CHEMBL4459971) Show SMILES CCc1nc(C)cn2nc(cc12)-c1cc(=O)n2cc(cc(C)c2n1)C1CCN(C)CC1 Show InChI InChI=1S/C24H28N6O/c1-5-19-22-11-21(27-30(22)13-16(3)25-19)20-12-23(31)29-14-18(10-15(2)24(29)26-20)17-6-8-28(4)9-7-17/h10-14,17H,5-9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG at 37 degC				J Med Chem 61: 6501-6517 (2018) Article DOI: 10.1021/acs.jmedchem.8b00741 BindingDB Entry DOI: 10.7270/Q24171F3
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28136 (methyl (2S)-2-[(2R)-6-chloro-2,3,4,9-tetrahydro-1H...) Show SMILES [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccccc1OC |r| Show InChI InChI=1S/C23H24ClNO5S/c1-23(22(26)30-3,31(27,28)21-7-5-4-6-20(21)29-2)14-8-10-16-17-13-15(24)9-11-18(17)25-19(16)12-14/h4-7,9,11,13-14,25H,8,10,12H2,1-3H3/t14-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+3	n/a	2.30E+3	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28148 (2-[(S)-(benzenesulfonyl)[(2R)-7-chloro-1H,2H,3H,4H...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnco1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H15ClFN3O3S/c21-13-6-7-17-16(10-13)15-8-12(9-18(15)24-17)20(22,19-25-23-11-28-19)29(26,27)14-4-2-1-3-5-14/h1-7,10-12,24H,8-9H2/t12-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	770	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28145 (methyl (2S)-2-(benzenesulfonyl)-2-[(4R)-11-chloro-...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)nc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H16ClFN2O4S/c1-27-18(24)19(21,28(25,26)12-5-3-2-4-6-12)11-9-13-15(10-11)22-14-7-8-16(20)23-17(13)14/h2-8,11,22H,9-10H2,1H3/t11-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.58E+3	n/a	4.23E+3	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair

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