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Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'zapf' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27251
PNG
(indan derivative, 1 | tert-butyl 2-(2-benzenesulfo...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H28N2O4S/c1-28(2,3)34-27(31)30-25-12-8-7-9-20(25)18-26(30)21-14-13-19-16-23(17-22(19)15-21)29-35(32,33)24-10-5-4-6-11-24/h4-15,18,23,29H,16-17H2,1-3H3
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n/an/an/an/a 190n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27252
PNG
(Boc-indole derivative, 10 | tert-butyl 2-[3-(2-ben...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1cccc(CCNS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H28N2O4S/c1-27(2,3)33-26(30)29-24-15-8-7-11-22(24)19-25(29)21-12-9-10-20(18-21)16-17-28-34(31,32)23-13-5-4-6-14-23/h4-15,18-19,28H,16-17H2,1-3H3
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n/an/an/an/a 420n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27253
PNG
(Boc-indole derivative, 11 | tert-butyl 2-[4-(2-ben...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H28N2O4S/c1-27(2,3)33-26(30)29-24-12-8-7-9-22(24)19-25(29)21-15-13-20(14-16-21)17-18-28-34(31,32)23-10-5-4-6-11-23/h4-16,19,28H,17-18H2,1-3H3
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n/an/an/an/a 120n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27254
PNG
(Boc-indole derivative, 12 | tert-butyl 2-[4-(benze...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H26N2O4S/c1-26(2,3)32-25(29)28-23-12-8-7-9-21(23)17-24(28)20-15-13-19(14-16-20)18-27-33(30,31)22-10-5-4-6-11-22/h4-17,27H,18H2,1-3H3
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n/an/an/an/a 220n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27255
PNG
(Boc-indole derivative, 13 | tert-butyl 2-[4-(3-ben...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCCNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H30N2O4S/c1-28(2,3)34-27(31)30-25-14-8-7-11-23(25)20-26(30)22-17-15-21(16-18-22)10-9-19-29-35(32,33)24-12-5-4-6-13-24/h4-8,11-18,20,29H,9-10,19H2,1-3H3
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n/an/an/an/a 350n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27256
PNG
(Boc-indole derivative, 14 | tert-butyl 2-(4-benzen...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H24N2O4S/c1-25(2,3)31-24(28)27-22-12-8-7-9-19(22)17-23(27)18-13-15-20(16-14-18)26-32(29,30)21-10-5-4-6-11-21/h4-17,26H,1-3H3
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n/an/an/an/a 1.32E+3n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27257
PNG
(Boc-indole derivative, 15 | tert-butyl 2-{4-[2-(th...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCNS(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C25H26N2O4S2/c1-25(2,3)31-24(28)27-21-8-5-4-7-20(21)17-22(27)19-12-10-18(11-13-19)14-15-26-33(29,30)23-9-6-16-32-23/h4-13,16-17,26H,14-15H2,1-3H3
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n/an/an/an/a 58n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27258
PNG
(Boc-indole derivative, 16 | tert-butyl 2-[4-(2-{[5...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCNS(=O)(=O)c2ccc(s2)-c2ccccn2)cc1
Show InChI InChI=1S/C30H29N3O4S2/c1-30(2,3)37-29(34)33-25-10-5-4-8-23(25)20-26(33)22-13-11-21(12-14-22)17-19-32-39(35,36)28-16-15-27(38-28)24-9-6-7-18-31-24/h4-16,18,20,32H,17,19H2,1-3H3
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n/an/an/an/a 230n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27259
PNG
(Boc-indole derivative, 17 | tert-butyl 2-{4-[(phen...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CNC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H26N2O3/c1-27(2,3)32-26(31)29-23-12-8-7-11-22(23)17-24(29)20-15-13-19(14-16-20)18-28-25(30)21-9-5-4-6-10-21/h4-17H,18H2,1-3H3,(H,28,30)
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n/an/an/an/a 1.80E+3n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27260
PNG
(Boc-indole derivative, 18 | tert-butyl 2-{4-[2-(ph...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCNC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H28N2O3/c1-28(2,3)33-27(32)30-24-12-8-7-11-23(24)19-25(30)21-15-13-20(14-16-21)17-18-29-26(31)22-9-5-4-6-10-22/h4-16,19H,17-18H2,1-3H3,(H,29,31)
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n/an/an/an/a 1.75E+3n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27261
PNG
(Boc-indole derivative, 19 | tert-butyl 2-{4-[3-(ph...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCCNC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C29H30N2O3/c1-29(2,3)34-28(33)31-25-14-8-7-13-24(25)20-26(31)22-17-15-21(16-18-22)10-9-19-30-27(32)23-11-5-4-6-12-23/h4-8,11-18,20H,9-10,19H2,1-3H3,(H,30,32)
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n/an/an/an/a 360n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27262
PNG
(Boc-indole derivative, 20 | tert-butyl 2-[4-(amino...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CN)cc1
Show InChI InChI=1S/C20H22N2O2/c1-20(2,3)24-19(23)22-17-7-5-4-6-16(17)12-18(22)15-10-8-14(13-21)9-11-15/h4-12H,13,21H2,1-3H3
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n/an/an/an/a 5.60E+3n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27263
PNG
(Boc-indole derivative, 21 | tert-butyl 2-[4-(cyano...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CC#N)cc1
Show InChI InChI=1S/C21H20N2O2/c1-21(2,3)25-20(24)23-18-7-5-4-6-17(18)14-19(23)16-10-8-15(9-11-16)12-13-22/h4-11,14H,12H2,1-3H3
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n/an/an/an/a 300n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27264
PNG
(Boc-indole derivative, 22 | tert-butyl 2-[4-(2-cya...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCC#N)cc1
Show InChI InChI=1S/C22H22N2O2/c1-22(2,3)26-21(25)24-19-9-5-4-8-18(19)15-20(24)17-12-10-16(11-13-17)7-6-14-23/h4-5,8-13,15H,6-7H2,1-3H3
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n/an/an/an/a 130n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27265
PNG
(Boc-indole derivative, 23 | tert-butyl 2-[4-(3-hyd...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCCO)cc1
Show InChI InChI=1S/C22H25NO3/c1-22(2,3)26-21(25)23-19-9-5-4-8-18(19)15-20(23)17-12-10-16(11-13-17)7-6-14-24/h4-5,8-13,15,24H,6-7,14H2,1-3H3
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n/an/an/an/a 380n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27266
PNG
(Boc-indole derivative, 24 | tert-butyl 2-[4-(2-hyd...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(OCCO)cc1
Show InChI InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-18-7-5-4-6-16(18)14-19(22)15-8-10-17(11-9-15)25-13-12-23/h4-11,14,23H,12-13H2,1-3H3
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n/an/an/an/a 420n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27267
PNG
(3-(4-{1-[(tert-butoxy)carbonyl]-1H-indol-2-yl}phen...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C22H23NO4/c1-22(2,3)27-21(26)23-18-7-5-4-6-17(18)14-19(23)16-11-8-15(9-12-16)10-13-20(24)25/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,25)
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n/an/an/an/a 220n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27268
PNG
(Boc-indole derivative, 26 | tert-butyl 2-[4-(2-car...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCC(N)=O)cc1
Show InChI InChI=1S/C22H24N2O3/c1-22(2,3)27-21(26)24-18-7-5-4-6-17(18)14-19(24)16-11-8-15(9-12-16)10-13-20(23)25/h4-9,11-12,14H,10,13H2,1-3H3,(H2,23,25)
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n/an/an/an/a 57n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27269
PNG
(Boc-indole derivative, 27 | tert-butyl 2-{4-[(1E)-...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(\C=C\C(N)=O)cc1
Show InChI InChI=1S/C22H22N2O3/c1-22(2,3)27-21(26)24-18-7-5-4-6-17(18)14-19(24)16-11-8-15(9-12-16)10-13-20(23)25/h4-14H,1-3H3,(H2,23,25)/b13-10+
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n/an/an/an/a 4.90E+3n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27270
PNG
(Boc-indole derivative, 28 | tert-butyl 2-{4-[2-(me...)
Show SMILES CNC(=O)CCc1ccc(cc1)-c1cc2ccccc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H26N2O3/c1-23(2,3)28-22(27)25-19-8-6-5-7-18(19)15-20(25)17-12-9-16(10-13-17)11-14-21(26)24-4/h5-10,12-13,15H,11,14H2,1-4H3,(H,24,26)
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n/an/an/an/a 490n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27271
PNG
(Boc-indole derivative, 29 | tert-butyl 2-(4-{2-[(2...)
Show SMILES CC(C)CNC(=O)CCc1ccc(cc1)-c1cc2ccccc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H32N2O3/c1-18(2)17-27-24(29)15-12-19-10-13-20(14-11-19)23-16-21-8-6-7-9-22(21)28(23)25(30)31-26(3,4)5/h6-11,13-14,16,18H,12,15,17H2,1-5H3,(H,27,29)
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n/an/an/an/a 1.51E+3n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27272
PNG
(Boc-indole derivative, 30 | tert-butyl 2-{4-[2-(ph...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C28H28N2O3/c1-28(2,3)33-27(32)30-24-12-8-7-9-22(24)19-25(30)21-16-13-20(14-17-21)15-18-26(31)29-23-10-5-4-6-11-23/h4-14,16-17,19H,15,18H2,1-3H3,(H,29,31)
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n/an/an/an/a 1.78E+3n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27273
PNG
(3-[4-(1-benzoyl-1H-indol-2-yl)phenyl]propanenitril...)
Show SMILES O=C(c1ccccc1)n1c(cc2ccccc12)-c1ccc(CCC#N)cc1
Show InChI InChI=1S/C24H18N2O/c25-16-6-7-18-12-14-19(15-13-18)23-17-21-10-4-5-11-22(21)26(23)24(27)20-8-2-1-3-9-20/h1-5,8-15,17H,6-7H2
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n/an/an/an/a 12n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27274
PNG
(N-{2-[4-(1-benzoyl-1H-indol-2-yl)phenyl]ethyl}benz...)
Show SMILES O=C(NCCc1ccc(cc1)-c1cc2ccccc2n1C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H24N2O2/c33-29(24-9-3-1-4-10-24)31-20-19-22-15-17-23(18-16-22)28-21-26-13-7-8-14-27(26)32(28)30(34)25-11-5-2-6-12-25/h1-18,21H,19-20H2,(H,31,33)
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n/an/an/an/a 1.78E+3n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM27251
PNG
(indan derivative, 1 | tert-butyl 2-(2-benzenesulfo...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H28N2O4S/c1-28(2,3)34-27(31)30-25-12-8-7-9-20(25)18-26(30)21-14-13-19-16-23(17-22(19)15-21)29-35(32,33)24-10-5-4-6-11-24/h4-15,18,23,29H,16-17H2,1-3H3
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n/an/an/an/a 1.50E+3n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM27264
PNG
(Boc-indole derivative, 22 | tert-butyl 2-[4-(2-cya...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCC#N)cc1
Show InChI InChI=1S/C22H22N2O2/c1-22(2,3)26-21(25)24-19-9-5-4-8-18(19)15-20(24)17-12-10-16(11-13-17)7-6-14-23/h4-5,8-13,15H,6-7H2,1-3H3
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n/an/an/an/a 1.19E+3n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM27267
PNG
(3-(4-{1-[(tert-butoxy)carbonyl]-1H-indol-2-yl}phen...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C22H23NO4/c1-22(2,3)27-21(26)23-18-7-5-4-6-17(18)14-19(23)16-11-8-15(9-12-16)10-13-20(24)25/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,25)
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n/an/an/an/a 1.15E+3n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM27268
PNG
(Boc-indole derivative, 26 | tert-butyl 2-[4-(2-car...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCC(N)=O)cc1
Show InChI InChI=1S/C22H24N2O3/c1-22(2,3)27-21(26)24-18-7-5-4-6-17(18)14-19(24)16-11-8-15(9-12-16)10-13-20(23)25/h4-9,11-12,14H,10,13H2,1-3H3,(H2,23,25)
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n/an/an/an/a 1.11E+3n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM27273
PNG
(3-[4-(1-benzoyl-1H-indol-2-yl)phenyl]propanenitril...)
Show SMILES O=C(c1ccccc1)n1c(cc2ccccc12)-c1ccc(CCC#N)cc1
Show InChI InChI=1S/C24H18N2O/c25-16-6-7-18-12-14-19(15-13-18)23-17-21-10-4-5-11-22(21)26(23)24(27)20-8-2-1-3-9-20/h1-5,8-15,17H,6-7H2
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n/an/an/an/a 220n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM19992
PNG
(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)
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n/an/an/an/a 367n/an/an/an/a



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM19993
PNG
(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
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n/an/an/an/a 40n/an/an/an/a



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM19992
PNG
(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)
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n/an/an/an/a 35n/an/an/an/a



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM19993
PNG
(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
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n/an/an/an/a 15n/an/an/an/a



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 4442-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.017
BindingDB Entry DOI: 10.7270/Q2N58JQ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27251
PNG
(indan derivative, 1 | tert-butyl 2-(2-benzenesulfo...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H28N2O4S/c1-28(2,3)34-27(31)30-25-12-8-7-9-20(25)18-26(30)21-14-13-19-16-23(17-22(19)15-21)29-35(32,33)24-10-5-4-6-11-24/h4-15,18,23,29H,16-17H2,1-3H3
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n/an/an/an/a 210n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27275
PNG
(indole derivative, 1a | tert-butyl 2-(2-benzenesul...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2c(O)cccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H28N2O5S/c1-28(2,3)35-27(32)30-24-10-7-11-26(31)23(24)17-25(30)19-13-12-18-15-21(16-20(18)14-19)29-36(33,34)22-8-5-4-6-9-22/h4-14,17,21,29,31H,15-16H2,1-3H3
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n/an/an/an/a>3.00E+4n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27276
PNG
(indole derivative, 1b | tert-butyl 2-(2-benzenesul...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2c(OCc3ccccc3)cccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C35H34N2O5S/c1-35(2,3)42-34(38)37-31-15-10-16-33(41-23-24-11-6-4-7-12-24)30(31)22-32(37)26-18-17-25-20-28(21-27(25)19-26)36-43(39,40)29-13-8-5-9-14-29/h4-19,22,28,36H,20-21,23H2,1-3H3
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n/an/an/an/a>3.00E+4n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27277
PNG
(indole derivative, 1c | tert-butyl 2-(2-benzenesul...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2cc(O)ccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H28N2O5S/c1-28(2,3)35-27(32)30-25-12-11-23(31)16-21(25)17-26(30)19-10-9-18-14-22(15-20(18)13-19)29-36(33,34)24-7-5-4-6-8-24/h4-13,16-17,22,29,31H,14-15H2,1-3H3
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n/an/an/an/a>3.00E+4n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27278
PNG
(indole derivative, 1d | tert-butyl 2-(2-benzenesul...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2cc(OCc3ccccc3)ccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C35H34N2O5S/c1-35(2,3)42-34(38)37-32-17-16-30(41-23-24-10-6-4-7-11-24)21-28(32)22-33(37)26-15-14-25-19-29(20-27(25)18-26)36-43(39,40)31-12-8-5-9-13-31/h4-18,21-22,29,36H,19-20,23H2,1-3H3
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n/an/an/an/a>3.00E+4n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27279
PNG
(indole derivative, 1e | tert-butyl 2-(2-benzenesul...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2cc(F)ccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H27FN2O4S/c1-28(2,3)35-27(32)31-25-12-11-22(29)14-21(25)17-26(31)19-10-9-18-15-23(16-20(18)13-19)30-36(33,34)24-7-5-4-6-8-24/h4-14,17,23,30H,15-16H2,1-3H3
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n/an/an/an/a 1.50E+3n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27280
PNG
(indole derivative, 1f | tert-butyl 2-(2-benzenesul...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2cc(ccc12)C#N)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H27N3O4S/c1-29(2,3)36-28(33)32-26-12-9-19(18-30)13-23(26)17-27(32)21-11-10-20-15-24(16-22(20)14-21)31-37(34,35)25-7-5-4-6-8-25/h4-14,17,24,31H,15-16H2,1-3H3
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n/an/an/an/a 2.60E+4n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27281
PNG
(indole derivative, 1g | tert-butyl 2-(2-benzenesul...)
Show SMILES COc1ccc2n(C(=O)OC(C)(C)C)c(cc2c1)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H30N2O5S/c1-29(2,3)36-28(32)31-26-13-12-24(35-4)17-22(26)18-27(31)20-11-10-19-15-23(16-21(19)14-20)30-37(33,34)25-8-6-5-7-9-25/h5-14,17-18,23,30H,15-16H2,1-4H3
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n/an/an/an/a 2.80E+4n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27282
PNG
(indole derivative, 1h | tert-butyl 2-(2-benzenesul...)
Show SMILES Cc1ccc2n(C(=O)OC(C)(C)C)c(cc2c1)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H30N2O4S/c1-19-10-13-26-23(14-19)18-27(31(26)28(32)35-29(2,3)4)21-12-11-20-16-24(17-22(20)15-21)30-36(33,34)25-8-6-5-7-9-25/h5-15,18,24,30H,16-17H2,1-4H3
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n/an/an/an/a 1.80E+4n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27283
PNG
(indole derivative, 1i | tert-butyl 2-(2-benzenesul...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccc(OCc3ccccc3)cc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C35H34N2O5S/c1-35(2,3)42-34(38)37-32(21-27-16-17-30(22-33(27)37)41-23-24-10-6-4-7-11-24)26-15-14-25-19-29(20-28(25)18-26)36-43(39,40)31-12-8-5-9-13-31/h4-18,21-22,29,36H,19-20,23H2,1-3H3
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n/an/an/an/a>3.00E+4n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27284
PNG
(indole derivative, 1j | tert-butyl 2-(2-benzenesul...)
Show SMILES COc1ccc2cc(-c3ccc4CC(Cc4c3)NS(=O)(=O)c3ccccc3)n(C(=O)OC(C)(C)C)c2c1
Show InChI InChI=1S/C29H30N2O5S/c1-29(2,3)36-28(32)31-26(17-21-12-13-24(35-4)18-27(21)31)20-11-10-19-15-23(16-22(19)14-20)30-37(33,34)25-8-6-5-7-9-25/h5-14,17-18,23,30H,15-16H2,1-4H3
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n/an/an/an/a 1.60E+3n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27285
PNG
(indole derivative, 1k | tert-butyl 2-(2-benzenesul...)
Show SMILES Cc1ccc2cc(-c3ccc4CC(Cc4c3)NS(=O)(=O)c3ccccc3)n(C(=O)OC(C)(C)C)c2c1
Show InChI InChI=1S/C29H30N2O4S/c1-19-10-11-22-18-27(31(26(22)14-19)28(32)35-29(2,3)4)21-13-12-20-16-24(17-23(20)15-21)30-36(33,34)25-8-6-5-7-9-25/h5-15,18,24,30H,16-17H2,1-4H3
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n/an/an/an/a 300n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27286
PNG
(indole derivative, 1l | tert-butyl 2-(2-benzenesul...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccc(O)cc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H28N2O5S/c1-28(2,3)35-27(32)30-25(16-20-11-12-23(31)17-26(20)30)19-10-9-18-14-22(15-21(18)13-19)29-36(33,34)24-7-5-4-6-8-24/h4-13,16-17,22,29,31H,14-15H2,1-3H3
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n/an/an/an/a 670n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27287
PNG
(indole derivative, 1m (R) | tert-butyl 2-[(2R)-2-b...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2C[C@H](Cc2c1)NS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H28N2O4S/c1-28(2,3)34-27(31)30-25-12-8-7-9-20(25)18-26(30)21-14-13-19-16-23(17-22(19)15-21)29-35(32,33)24-10-5-4-6-11-24/h4-15,18,23,29H,16-17H2,1-3H3/t23-/m1/s1
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n/an/an/an/a 660n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27288
PNG
(indole derivative, 1n (S) | tert-butyl 2-[(2S)-2-b...)
Show SMILES CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2C[C@@H](Cc2c1)NS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H28N2O4S/c1-28(2,3)34-27(31)30-25-12-8-7-9-20(25)18-26(30)21-14-13-19-16-23(17-22(19)15-21)29-35(32,33)24-10-5-4-6-11-24/h4-15,18,23,29H,16-17H2,1-3H3/t23-/m0/s1
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n/an/an/an/a 130n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27289
PNG
(N-[5-(1H-indol-2-yl)-2,3-dihydro-1H-inden-2-yl]ben...)
Show SMILES O=S(=O)(NC1Cc2ccc(cc2C1)-c1cc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C23H20N2O2S/c26-28(27,21-7-2-1-3-8-21)25-20-13-16-10-11-18(12-19(16)14-20)23-15-17-6-4-5-9-22(17)24-23/h1-12,15,20,24-25H,13-14H2
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n/an/an/an/a>3.00E+4n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM27290
PNG
(indole derivative, 12 | methyl 2-(2-benzenesulfona...)
Show SMILES COC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H22N2O4S/c1-31-25(28)27-23-10-6-5-7-18(23)16-24(27)19-12-11-17-14-21(15-20(17)13-19)26-32(29,30)22-8-3-2-4-9-22/h2-13,16,21,26H,14-15H2,1H3
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n/an/an/an/a>3.00E+4n/an/a7.522



Tanabe Research Laboratories USA



Assay Description
Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...


Bioorg Med Chem Lett 17: 3473-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.076
BindingDB Entry DOI: 10.7270/Q2HD7T00
More data for this
Ligand-Target Pair
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