Found 58 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227157
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES OC(=O)C(CC#C)(CC#C)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C38H26F3NO4/c1-3-19-37(20-4-2,36(44)45)29-15-13-25(14-16-29)24-46-30-12-8-11-27(21-30)31-17-18-33(38(39,40)41)34-32(31)22-28(23-42-34)35(43)26-9-6-5-7-10-26/h1-2,5-18,21-23H,19-20,24H2,(H,44,45) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM20000
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227146
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES Cc1cc(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c(C)cc1CC(O)=O Show InChI InChI=1S/C34H29F3N2O2/c1-21-15-30(22(2)14-26(21)18-31(40)41)38-19-24-10-6-11-25(17-24)32-27(16-23-8-4-3-5-9-23)20-39-33-28(32)12-7-13-29(33)34(35,36)37/h3-15,17,20,38H,16,18-19H2,1-2H3,(H,40,41) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227163
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES CC#CCC(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 |w:4.3| Show InChI InChI=1S/C36H26F3NO4/c1-2-3-12-30(35(42)43)24-15-13-23(14-16-24)22-44-28-11-7-10-26(19-28)29-17-18-32(36(37,38)39)33-31(29)20-27(21-40-33)34(41)25-8-5-4-6-9-25/h4-11,13-21,30H,12,22H2,1H3,(H,42,43) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227161
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES OC(=O)Cc1ccc(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C36H27F3N2O2/c37-36(38,39)31-15-7-14-30-34(27(22-41-35(30)31)18-23-8-2-1-3-9-23)26-11-6-10-24(19-26)21-40-32-17-16-25(20-33(42)43)28-12-4-5-13-29(28)32/h1-17,19,22,40H,18,20-21H2,(H,42,43) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227156
(2-(4-((3-(3-benzyl-8-(trifluoromethyl)quinolin-4-y...)Show SMILES Cc1cc(CC(O)=O)c(C)cc1COc1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F Show InChI InChI=1S/C34H28F3NO3/c1-21-15-27(22(2)14-25(21)18-31(39)40)20-41-28-11-6-10-24(17-28)32-26(16-23-8-4-3-5-9-23)19-38-33-29(32)12-7-13-30(33)34(35,36)37/h3-15,17,19H,16,18,20H2,1-2H3,(H,39,40) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227159
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES Cc1c(C)c(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)ccc1CC(O)=O Show InChI InChI=1S/C34H29F3N2O2/c1-21-22(2)30(15-14-25(21)18-31(40)41)38-19-24-10-6-11-26(17-24)32-27(16-23-8-4-3-5-9-23)20-39-33-28(32)12-7-13-29(33)34(35,36)37/h3-15,17,20,38H,16,18-19H2,1-2H3,(H,40,41) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227158
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES Cc1cc(OCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c(C)cc1CC(O)=O Show InChI InChI=1S/C34H28F3NO3/c1-21-15-30(22(2)14-26(21)18-31(39)40)41-20-24-10-6-11-25(17-24)32-27(16-23-8-4-3-5-9-23)19-38-33-28(32)12-7-13-29(33)34(35,36)37/h3-15,17,19H,16,18,20H2,1-2H3,(H,39,40) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227151
(2-(5-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3c(Cc4ccccc4)cnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C36H27F3N2O2/c37-36(38,39)31-16-6-15-30-34(27(22-41-35(30)31)18-23-8-2-1-3-9-23)26-12-4-10-24(19-26)21-40-32-17-7-13-28-25(20-33(42)43)11-5-14-29(28)32/h1-17,19,22,40H,18,20-21H2,(H,42,43) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227160
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES OC(=O)C(CC=C)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 |w:3.3| Show InChI InChI=1S/C35H26F3NO4/c1-2-7-29(34(41)42)23-14-12-22(13-15-23)21-43-27-11-6-10-25(18-27)28-16-17-31(35(36,37)38)32-30(28)19-26(20-39-32)33(40)24-8-4-3-5-9-24/h2-6,8-20,29H,1,7,21H2,(H,41,42) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227162
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C32H22F3NO4/c33-32(34,35)28-14-13-26(27-17-24(18-36-30(27)28)31(39)22-5-2-1-3-6-22)23-7-4-8-25(16-23)40-19-21-11-9-20(10-12-21)15-29(37)38/h1-14,16-18H,15,19H2,(H,37,38) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227163
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES CC#CCC(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 |w:4.3| Show InChI InChI=1S/C36H26F3NO4/c1-2-3-12-30(35(42)43)24-15-13-23(14-16-24)22-44-28-11-7-10-26(19-28)29-17-18-32(36(37,38)39)33-31(29)20-27(21-40-33)34(41)25-8-5-4-6-9-25/h4-11,13-21,30H,12,22H2,1H3,(H,42,43) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM20002
(2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...)Show SMILES OC(=O)Cc1ccc(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-27-30(25(20-37-31(27)28)16-21-6-2-1-3-7-21)24-9-4-8-23(17-24)19-36-26-14-12-22(13-15-26)18-29(38)39/h1-15,17,20,36H,16,18-19H2,(H,38,39) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM20000
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227145
(2-(5-((3-(3-methyl-8-(trifluoromethyl)quinolin-4-y...)Show SMILES Cc1cnc2c(cccc2c1-c1cccc(CNc2cccc3c(CC(O)=O)cccc23)c1)C(F)(F)F Show InChI InChI=1S/C30H23F3N2O2/c1-18-16-35-29-24(11-4-12-25(29)30(31,32)33)28(18)21-8-2-6-19(14-21)17-34-26-13-5-9-22-20(15-27(36)37)7-3-10-23(22)26/h2-14,16,34H,15,17H2,1H3,(H,36,37) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227154
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES CCC#CCC(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 |w:5.4| Show InChI InChI=1S/C37H28F3NO4/c1-2-3-5-13-31(36(43)44)25-16-14-24(15-17-25)23-45-29-12-8-11-27(20-29)30-18-19-33(37(38,39)40)34-32(30)21-28(22-41-34)35(42)26-9-6-4-7-10-26/h4,6-12,14-22,31H,2,13,23H2,1H3,(H,43,44) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227152
(2-(5-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES OC(=O)Cc1cccc2c(OCc3cccc(c3)-c3c(Cc4ccccc4)cnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C36H26F3NO3/c37-36(38,39)31-16-6-15-30-34(27(21-40-35(30)31)18-23-8-2-1-3-9-23)26-12-4-10-24(19-26)22-43-32-17-7-13-28-25(20-33(41)42)11-5-14-29(28)32/h1-17,19,21H,18,20,22H2,(H,41,42) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227156
(2-(4-((3-(3-benzyl-8-(trifluoromethyl)quinolin-4-y...)Show SMILES Cc1cc(CC(O)=O)c(C)cc1COc1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F Show InChI InChI=1S/C34H28F3NO3/c1-21-15-27(22(2)14-25(21)18-31(39)40)20-41-28-11-6-10-24(17-28)32-26(16-23-8-4-3-5-9-23)19-38-33-29(32)12-7-13-30(33)34(35,36)37/h3-15,17,19H,16,18,20H2,1-2H3,(H,39,40) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227147
(2-(5-((3-(8-(trifluoromethyl)quinolin-4-yl)phenyl)...)Show SMILES OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3ccnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)25-11-3-10-24-22(13-14-33-28(24)25)19-6-1-5-18(15-19)17-34-26-12-4-8-21-20(16-27(35)36)7-2-9-23(21)26/h1-15,34H,16-17H2,(H,35,36) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227160
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES OC(=O)C(CC=C)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 |w:3.3| Show InChI InChI=1S/C35H26F3NO4/c1-2-7-29(34(41)42)23-14-12-22(13-15-23)21-43-27-11-6-10-25(18-27)28-16-17-31(35(36,37)38)32-30(28)19-26(20-39-32)33(40)24-8-4-3-5-9-24/h2-6,8-20,29H,1,7,21H2,(H,41,42) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227162
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C32H22F3NO4/c33-32(34,35)28-14-13-26(27-17-24(18-36-30(27)28)31(39)22-5-2-1-3-6-22)23-7-4-8-25(16-23)40-19-21-11-9-20(10-12-21)15-29(37)38/h1-14,16-18H,15,19H2,(H,37,38) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227154
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES CCC#CCC(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 |w:5.4| Show InChI InChI=1S/C37H28F3NO4/c1-2-3-5-13-31(36(43)44)25-16-14-24(15-17-25)23-45-29-12-8-11-27(20-29)30-18-19-33(37(38,39)40)34-32(30)21-28(22-41-34)35(42)26-9-6-4-7-10-26/h4,6-12,14-22,31H,2,13,23H2,1H3,(H,43,44) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227146
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES Cc1cc(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c(C)cc1CC(O)=O Show InChI InChI=1S/C34H29F3N2O2/c1-21-15-30(22(2)14-26(21)18-31(40)41)38-19-24-10-6-11-25(17-24)32-27(16-23-8-4-3-5-9-23)20-39-33-28(32)12-7-13-29(33)34(35,36)37/h3-15,17,20,38H,16,18-19H2,1-2H3,(H,40,41) | PDB
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Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227161
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES OC(=O)Cc1ccc(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C36H27F3N2O2/c37-36(38,39)31-15-7-14-30-34(27(22-41-35(30)31)18-23-8-2-1-3-9-23)26-11-6-10-24(19-26)21-40-32-17-16-25(20-33(42)43)28-12-4-5-13-29(28)32/h1-17,19,22,40H,18,20-21H2,(H,42,43) | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227157
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES OC(=O)C(CC#C)(CC#C)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C38H26F3NO4/c1-3-19-37(20-4-2,36(44)45)29-15-13-25(14-16-29)24-46-30-12-8-11-27(21-30)31-17-18-33(38(39,40)41)34-32(31)22-28(23-42-34)35(43)26-9-6-5-7-10-26/h1-2,5-18,21-23H,19-20,24H2,(H,44,45) | PDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227158
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES Cc1cc(OCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c(C)cc1CC(O)=O Show InChI InChI=1S/C34H28F3NO3/c1-21-15-30(22(2)14-26(21)18-31(39)40)41-20-24-10-6-11-25(17-24)32-27(16-23-8-4-3-5-9-23)19-38-33-28(32)12-7-13-29(33)34(35,36)37/h3-15,17,19H,16,18,20H2,1-2H3,(H,39,40) | PDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227148
(5-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl)be...)Show SMILES OC(=O)c1cccc2c(NCc3cccc(c3)-c3c(Cc4ccccc4)cnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C35H25F3N2O2/c36-35(37,38)30-16-6-15-29-32(25(21-40-33(29)30)18-22-8-2-1-3-9-22)24-11-4-10-23(19-24)20-39-31-17-7-12-26-27(31)13-5-14-28(26)34(41)42/h1-17,19,21,39H,18,20H2,(H,41,42) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM20002
(2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...)Show SMILES OC(=O)Cc1ccc(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-27-30(25(20-37-31(27)28)16-21-6-2-1-3-7-21)24-9-4-8-23(17-24)19-36-26-14-12-22(13-15-26)18-29(38)39/h1-15,17,20,36H,16,18-19H2,(H,38,39) | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227159
(2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES Cc1c(C)c(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)ccc1CC(O)=O Show InChI InChI=1S/C34H29F3N2O2/c1-21-22(2)30(15-14-25(21)18-31(40)41)38-19-24-10-6-11-26(17-24)32-27(16-23-8-4-3-5-9-23)20-39-33-28(32)12-7-13-29(33)34(35,36)37/h3-15,17,20,38H,16,18-19H2,1-2H3,(H,40,41) | PDB
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| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227150
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES CC(C)(C)c1ccc(CC(C(O)=O)c2ccc(COc3cccc(c3)-c3ccc(c4ncc(cc34)C(=O)c3ccccc3)C(F)(F)F)cc2)cc1 |w:9.8| Show InChI InChI=1S/C43H36F3NO4/c1-42(2,3)33-18-14-27(15-19-33)22-36(41(49)50)29-16-12-28(13-17-29)26-51-34-11-7-10-31(23-34)35-20-21-38(43(44,45)46)39-37(35)24-32(25-47-39)40(48)30-8-5-4-6-9-30/h4-21,23-25,36H,22,26H2,1-3H3,(H,49,50) | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227153
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES OC(=O)C(Cc1ccccc1)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 |w:3.3| Show InChI InChI=1S/C39H28F3NO4/c40-39(41,42)35-19-18-32(34-22-30(23-43-36(34)35)37(44)28-10-5-2-6-11-28)29-12-7-13-31(21-29)47-24-26-14-16-27(17-15-26)33(38(45)46)20-25-8-3-1-4-9-25/h1-19,21-23,33H,20,24H2,(H,45,46) | PDB
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| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227150
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES CC(C)(C)c1ccc(CC(C(O)=O)c2ccc(COc3cccc(c3)-c3ccc(c4ncc(cc34)C(=O)c3ccccc3)C(F)(F)F)cc2)cc1 |w:9.8| Show InChI InChI=1S/C43H36F3NO4/c1-42(2,3)33-18-14-27(15-19-33)22-36(41(49)50)29-16-12-28(13-17-29)26-51-34-11-7-10-31(23-34)35-20-21-38(43(44,45)46)39-37(35)24-32(25-47-39)40(48)30-8-5-4-6-9-30/h4-21,23-25,36H,22,26H2,1-3H3,(H,49,50) | PDB
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| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227153
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES OC(=O)C(Cc1ccccc1)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 |w:3.3| Show InChI InChI=1S/C39H28F3NO4/c40-39(41,42)35-19-18-32(34-22-30(23-43-36(34)35)37(44)28-10-5-2-6-11-28)29-12-7-13-31(21-29)47-24-26-14-16-27(17-15-26)33(38(45)46)20-25-8-3-1-4-9-25/h1-19,21-23,33H,20,24H2,(H,45,46) | PDB
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| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227151
(2-(5-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3c(Cc4ccccc4)cnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C36H27F3N2O2/c37-36(38,39)31-16-6-15-30-34(27(22-41-35(30)31)18-23-8-2-1-3-9-23)26-12-4-10-24(19-26)21-40-32-17-7-13-28-25(20-33(42)43)11-5-14-29(28)32/h1-17,19,22,40H,18,20-21H2,(H,42,43) | PDB
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| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227149
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES CCC#CCC(CC#CCC)(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C42H34F3NO4/c1-3-5-10-23-41(40(48)49,24-11-6-4-2)33-19-17-29(18-20-33)28-50-34-16-12-15-31(25-34)35-21-22-37(42(43,44)45)38-36(35)26-32(27-46-38)39(47)30-13-8-7-9-14-30/h7-9,12-22,25-27H,3-4,23-24,28H2,1-2H3,(H,48,49) | PDB
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| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227148
(5-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl)be...)Show SMILES OC(=O)c1cccc2c(NCc3cccc(c3)-c3c(Cc4ccccc4)cnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C35H25F3N2O2/c36-35(37,38)30-16-6-15-29-32(25(21-40-33(29)30)18-22-8-2-1-3-9-22)24-11-4-10-23(19-24)20-39-31-17-7-12-26-27(31)13-5-14-28(26)34(41)42/h1-17,19,21,39H,18,20H2,(H,41,42) | PDB
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| n/a | n/a | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227152
(2-(5-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES OC(=O)Cc1cccc2c(OCc3cccc(c3)-c3c(Cc4ccccc4)cnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C36H26F3NO3/c37-36(38,39)31-16-6-15-30-34(27(21-40-35(30)31)18-23-8-2-1-3-9-23)26-12-4-10-24(19-26)22-43-32-17-7-13-28-25(20-33(41)42)11-5-14-29(28)32/h1-17,19,21H,18,20,22H2,(H,41,42) | PDB
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| n/a | n/a | 161 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227145
(2-(5-((3-(3-methyl-8-(trifluoromethyl)quinolin-4-y...)Show SMILES Cc1cnc2c(cccc2c1-c1cccc(CNc2cccc3c(CC(O)=O)cccc23)c1)C(F)(F)F Show InChI InChI=1S/C30H23F3N2O2/c1-18-16-35-29-24(11-4-12-25(29)30(31,32)33)28(18)21-8-2-6-19(14-21)17-34-26-13-5-9-22-20(15-27(36)37)7-3-10-23(22)26/h2-14,16,34H,15,17H2,1H3,(H,36,37) | PDB
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| n/a | n/a | 211 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227149
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)Show SMILES CCC#CCC(CC#CCC)(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C42H34F3NO4/c1-3-5-10-23-41(40(48)49,24-11-6-4-2)33-19-17-29(18-20-33)28-50-34-16-12-15-31(25-34)35-21-22-37(42(43,44)45)38-36(35)26-32(27-46-38)39(47)30-13-8-7-9-14-30/h7-9,12-22,25-27H,3-4,23-24,28H2,1-2H3,(H,48,49) | PDB
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| n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227155
(2-{4-[3-(3-benzoyl-8-trifluoromethyl-quinolin-5-yl...)Show SMILES OC(=O)C(Cc1ccc(cc1)-c1ccccc1)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 |w:3.3| Show InChI InChI=1S/C45H32F3NO4/c46-45(47,48)41-23-22-38(40-26-36(27-49-42(40)41)43(50)34-10-5-2-6-11-34)35-12-7-13-37(25-35)53-28-30-16-20-33(21-17-30)39(44(51)52)24-29-14-18-32(19-15-29)31-8-3-1-4-9-31/h1-23,25-27,39H,24,28H2,(H,51,52) | PDB
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| n/a | n/a | 473 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRbeta |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227155
(2-{4-[3-(3-benzoyl-8-trifluoromethyl-quinolin-5-yl...)Show SMILES OC(=O)C(Cc1ccc(cc1)-c1ccccc1)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1 |w:3.3| Show InChI InChI=1S/C45H32F3NO4/c46-45(47,48)41-23-22-38(40-26-36(27-49-42(40)41)43(50)34-10-5-2-6-11-34)35-12-7-13-37(25-35)53-28-30-16-20-33(21-17-30)39(44(51)52)24-29-14-18-32(19-15-29)31-8-3-1-4-9-31/h1-23,25-27,39H,24,28H2,(H,51,52) | PDB
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| n/a | n/a | 528 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227147
(2-(5-((3-(8-(trifluoromethyl)quinolin-4-yl)phenyl)...)Show SMILES OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3ccnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)25-11-3-10-24-22(13-14-33-28(24)25)19-6-1-5-18(15-19)17-34-26-12-4-8-21-20(16-27(35)36)7-2-9-23(21)26/h1-15,34H,16-17H2,(H,35,36) | PDB
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| n/a | n/a | 745 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at human LXRalpha |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50227147
(2-(5-((3-(8-(trifluoromethyl)quinolin-4-yl)phenyl)...)Show SMILES OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3ccnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)25-11-3-10-24-22(13-14-33-28(24)25)19-6-1-5-18(15-19)17-34-26-12-4-8-21-20(16-27(35)36)7-2-9-23(21)26/h1-15,34H,16-17H2,(H,35,36) | PDB
MMDB
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| n/a | n/a | n/a | n/a | 69 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant PPARgamma |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227151
(2-(5-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3c(Cc4ccccc4)cnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C36H27F3N2O2/c37-36(38,39)31-16-6-15-30-34(27(22-41-35(30)31)18-23-8-2-1-3-9-23)26-12-4-10-24(19-26)21-40-32-17-7-13-28-25(20-33(42)43)11-5-14-29(28)32/h1-17,19,22,40H,18,20-21H2,(H,42,43) | PDB
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| n/a | n/a | n/a | n/a | 355 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human LXRbeta expressed in Huh7 cells by Gal4 transactivation assay |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227145
(2-(5-((3-(3-methyl-8-(trifluoromethyl)quinolin-4-y...)Show SMILES Cc1cnc2c(cccc2c1-c1cccc(CNc2cccc3c(CC(O)=O)cccc23)c1)C(F)(F)F Show InChI InChI=1S/C30H23F3N2O2/c1-18-16-35-29-24(11-4-12-25(29)30(31,32)33)28(18)21-8-2-6-19(14-21)17-34-26-13-5-9-22-20(15-27(36)37)7-3-10-23(22)26/h2-14,16,34H,15,17H2,1H3,(H,36,37) | PDB
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| n/a | n/a | n/a | n/a | 4.17E+3 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human LXRbeta expressed in Huh7 cells by Gal4 transactivation assay |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50227145
(2-(5-((3-(3-methyl-8-(trifluoromethyl)quinolin-4-y...)Show SMILES Cc1cnc2c(cccc2c1-c1cccc(CNc2cccc3c(CC(O)=O)cccc23)c1)C(F)(F)F Show InChI InChI=1S/C30H23F3N2O2/c1-18-16-35-29-24(11-4-12-25(29)30(31,32)33)28(18)21-8-2-6-19(14-21)17-34-26-13-5-9-22-20(15-27(36)37)7-3-10-23(22)26/h2-14,16,34H,15,17H2,1H3,(H,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant PPARgamma |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
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Article
PubMed
| n/a | n/a | n/a | n/a | 178 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human LXRbeta expressed in Huh7 cells by Gal4 transactivation assay |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM20000
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38) | PDB
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| n/a | n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human LXRbeta expressed in Huh7 cells by Gal4 transactivation assay |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227145
(2-(5-((3-(3-methyl-8-(trifluoromethyl)quinolin-4-y...)Show SMILES Cc1cnc2c(cccc2c1-c1cccc(CNc2cccc3c(CC(O)=O)cccc23)c1)C(F)(F)F Show InChI InChI=1S/C30H23F3N2O2/c1-18-16-35-29-24(11-4-12-25(29)30(31,32)33)28(18)21-8-2-6-19(14-21)17-34-26-13-5-9-22-20(15-27(36)37)7-3-10-23(22)26/h2-14,16,34H,15,17H2,1H3,(H,36,37) | PDB
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| n/a | n/a | n/a | n/a | 7.87E+3 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human LXRalpha expressed in Huh7 cells by Gal4 transactivation assay |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
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Article
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| n/a | n/a | n/a | n/a | 135 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human LXRalpha expressed in Huh7 cells by Gal4 transactivation assay |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50227147
(2-(5-((3-(8-(trifluoromethyl)quinolin-4-yl)phenyl)...)Show SMILES OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3ccnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)25-11-3-10-24-22(13-14-33-28(24)25)19-6-1-5-18(15-19)17-34-26-12-4-8-21-20(16-27(35)36)7-2-9-23(21)26/h1-15,34H,16-17H2,(H,35,36) | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 622 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human LXRbeta expressed in Huh7 cells by Gal4 transactivation assay |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227151
(2-(5-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3c(Cc4ccccc4)cnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C36H27F3N2O2/c37-36(38,39)31-16-6-15-30-34(27(22-41-35(30)31)18-23-8-2-1-3-9-23)26-12-4-10-24(19-26)21-40-32-17-7-13-28-25(20-33(42)43)11-5-14-29(28)32/h1-17,19,22,40H,18,20-21H2,(H,42,43) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 685 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human LXRalpha expressed in Huh7 cells by Gal4 transactivation assay |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM20000
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 680 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant PPARgamma |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50227151
(2-(5-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3c(Cc4ccccc4)cnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C36H27F3N2O2/c37-36(38,39)31-16-6-15-30-34(27(22-41-35(30)31)18-23-8-2-1-3-9-23)26-12-4-10-24(19-26)21-40-32-17-7-13-28-25(20-33(42)43)11-5-14-29(28)32/h1-17,19,22,40H,18,20-21H2,(H,42,43) | 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 | n/a | n/a | 84 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant PPARgamma |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM20000
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human LXRalpha expressed in Huh7 cells by Gal4 transactivation assay |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50227147
(2-(5-((3-(8-(trifluoromethyl)quinolin-4-yl)phenyl)...)Show SMILES OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3ccnc4c(cccc34)C(F)(F)F)cccc12 Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)25-11-3-10-24-22(13-14-33-28(24)25)19-6-1-5-18(15-19)17-34-26-12-4-8-21-20(16-27(35)36)7-2-9-23(21)26/h1-15,34H,16-17H2,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human LXRalpha expressed in Huh7 cells by Gal4 transactivation assay |
Bioorg Med Chem Lett 18: 54-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT |
More data for this
Ligand-Target Pair | |
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