Found 48 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50018163 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192148
(2-(3-chloro-4-(ethyl(thiazol-4-ylmethyl)amino)phen...)Show SMILES CCN(Cc1cscn1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H13ClF6N2OS/c1-2-24(6-10-7-26-8-23-10)12-4-3-9(5-11(12)16)13(25,14(17,18)19)15(20,21)22/h3-5,7-8,25H,2,6H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192109
(2-(4-(benzyl(2,2,2-trifluoroethyl)amino)-3-chlorop...)Show SMILES OC(c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Cl)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H13ClF9NO/c19-13-8-12(16(30,17(23,24)25)18(26,27)28)6-7-14(13)29(10-15(20,21)22)9-11-4-2-1-3-5-11/h1-8,30H,9-10H2 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192136
(2-(4-(ethyl((5-methyl-2-(3-(trifluoromethyl)phenyl...)Show SMILES CCN(Cc1nc(oc1C)-c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H19F9N2O2/c1-3-34(17-9-7-15(8-10-17)20(35,22(27,28)29)23(30,31)32)12-18-13(2)36-19(33-18)14-5-4-6-16(11-14)21(24,25)26/h4-11,35H,3,12H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192144
(2-(3-chloro-4-(ethyl(phenethyl)amino)phenyl)-1,1,1...)Show SMILES CCN(CCc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H18ClF6NO/c1-2-27(11-10-13-6-4-3-5-7-13)16-9-8-14(12-15(16)20)17(28,18(21,22)23)19(24,25)26/h3-9,12,28H,2,10-11H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192134
(2-(4-(benzyl(ethyl)amino)-3-chlorophenyl)-1,1,1,3,...)Show SMILES CCN(Cc1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H16ClF6NO/c1-2-26(11-12-6-4-3-5-7-12)15-9-8-13(10-14(15)19)16(27,17(20,21)22)18(23,24)25/h3-10,27H,2,11H2,1H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192137
(2-(3-chloro-4-(((2-(3-chlorophenyl)-5-methyloxazol...)Show SMILES CCN(Cc1nc(oc1C)-c1cccc(Cl)c1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H18Cl2F6N2O2/c1-3-32(11-17-12(2)34-19(31-17)13-5-4-6-15(23)9-13)18-8-7-14(10-16(18)24)20(33,21(25,26)27)22(28,29)30/h4-10,33H,3,11H2,1-2H3 | PDB
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192117
(2-(4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES CCN(Cc1nc(oc1C)-c1cccc(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H19ClF6N2O2/c1-3-31(12-18-13(2)33-19(30-18)14-5-4-6-16(23)11-14)17-9-7-15(8-10-17)20(32,21(24,25)26)22(27,28)29/h4-11,32H,3,12H2,1-2H3 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192113
(2-(3-chloro-4-(ethyl((5-methyl-2-(3-(trifluorometh...)Show SMILES CCN(Cc1nc(oc1C)-c1cccc(c1)C(F)(F)F)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H18ClF9N2O2/c1-3-35(18-8-7-14(10-16(18)24)20(36,22(28,29)30)23(31,32)33)11-17-12(2)37-19(34-17)13-5-4-6-15(9-13)21(25,26)27/h4-10,36H,3,11H2,1-2H3 | PDB
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PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192115
(3-(4-(2-((2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hyd...)Show SMILES CCN(C(COc1ccc(CCC(O)=O)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H26ClF6NO4/c1-2-36(23-14-11-20(16-22(23)29)26(39,27(30,31)32)28(33,34)35)24(19-6-4-3-5-7-19)17-40-21-12-8-18(9-13-21)10-15-25(37)38/h3-9,11-14,16,24,39H,2,10,15,17H2,1H3,(H,37,38) | PDB
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PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192138
(CHEMBL215904 | methyl 2-(ethyl(4-(1,1,1,3,3,3-hexa...)Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(C)(C(=O)OC)c1ccccc1 Show InChI InChI=1S/C21H21F6NO3/c1-4-28(18(2,17(29)31-3)14-8-6-5-7-9-14)16-12-10-15(11-13-16)19(30,20(22,23)24)21(25,26)27/h5-13,30H,4H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192126
(1,1,1,3,3,3-hexafluoro-2-(4-(((5-methyl-2-(3-(trif...)Show SMILES Cc1oc(nc1CN(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H16F12N2O2/c1-12-17(36-18(39-12)13-3-2-4-15(9-13)21(27,28)29)10-37(11-19(24,25)26)16-7-5-14(6-8-16)20(38,22(30,31)32)23(33,34)35/h2-9,38H,10-11H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192150
(4-(2-((2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)Show SMILES CCN(C(COc1ccc(cc1)C(O)=O)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H22ClF6NO4/c1-2-34(21-13-10-18(14-20(21)27)24(37,25(28,29)30)26(31,32)33)22(16-6-4-3-5-7-16)15-38-19-11-8-17(9-12-19)23(35)36/h3-14,22,37H,2,15H2,1H3,(H,35,36) | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192149
(CHEMBL215130 | methyl 4-(2-((2-chloro-4-(1,1,1,3,3...)Show SMILES CCN(C(COc1ccc(cc1)C(=O)OC)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H24ClF6NO4/c1-3-35(22-14-11-19(15-21(22)28)25(37,26(29,30)31)27(32,33)34)23(17-7-5-4-6-8-17)16-39-20-12-9-18(10-13-20)24(36)38-2/h4-15,23,37H,3,16H2,1-2H3 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192152
(2-(4-(2-((2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hyd...)Show SMILES CCN(C(COc1ccc(CC(O)=O)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H24ClF6NO4/c1-2-35(22-13-10-19(15-21(22)28)25(38,26(29,30)31)27(32,33)34)23(18-6-4-3-5-7-18)16-39-20-11-8-17(9-12-20)14-24(36)37/h3-13,15,23,38H,2,14,16H2,1H3,(H,36,37) | PDB
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PC cid
PC sid
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| Article
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192141
(CHEMBL384298 | methyl 1-(4-(1,1,1,3,3,3-hexafluoro...)Show SMILES COC(=O)C1(CCCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C21H19F6NO3/c1-31-17(29)18(14-6-3-2-4-7-14)12-5-13-28(18)16-10-8-15(9-11-16)19(30,20(22,23)24)21(25,26)27/h2-4,6-11,30H,5,12-13H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192153
(CHEMBL215167 | methyl 2-((2-chloro-4-(1,1,1,3,3,3-...)Show SMILES CCN(c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(CC)(C(=O)OC)c1ccccc1 Show InChI InChI=1S/C22H22ClF6NO3/c1-4-19(18(31)33-3,14-9-7-6-8-10-14)30(5-2)17-12-11-15(13-16(17)23)20(32,21(24,25)26)22(27,28)29/h6-13,32H,4-5H2,1-3H3 | PDB
UniProtKB/SwissProt
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GoogleScholar
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192118
(2-(4-(benzyl(ethyl)amino)phenyl)-1,1,1,3,3,3-hexaf...)Show SMILES CCN(Cc1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H17F6NO/c1-2-25(12-13-6-4-3-5-7-13)15-10-8-14(9-11-15)16(26,17(19,20)21)18(22,23)24/h3-11,26H,2,12H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192154
(CHEMBL215959 | methyl 2-(4-(2-((2-chloro-4-(1,1,1,...)Show SMILES CCN(C(COc1ccc(CC(=O)OC)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H26ClF6NO4/c1-3-36(23-14-11-20(16-22(23)29)26(38,27(30,31)32)28(33,34)35)24(19-7-5-4-6-8-19)17-40-21-12-9-18(10-13-21)15-25(37)39-2/h4-14,16,24,38H,3,15,17H2,1-2H3 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192145
(CHEMBL383945 | methyl 1-(4-(1,1,1,3,3,3-hexafluoro...)Show SMILES COC(=O)C1(CCCCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C22H21F6NO3/c1-32-18(30)19(15-7-3-2-4-8-15)13-5-6-14-29(19)17-11-9-16(10-12-17)20(31,21(23,24)25)22(26,27)28/h2-4,7-12,31H,5-6,13-14H2,1H3 | PDB
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F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192131
(CHEMBL263089 | methyl 2-(ethyl(4-(1,1,1,3,3,3-hexa...)Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(CC)(C(=O)OC)c1ccccc1 Show InChI InChI=1S/C22H23F6NO3/c1-4-19(18(30)32-3,15-9-7-6-8-10-15)29(5-2)17-13-11-16(12-14-17)20(31,21(23,24)25)22(26,27)28/h6-14,31H,4-5H2,1-3H3 | PDB
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F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192142
(1,1,1,3,3,3-hexafluoro-2-(4-(methyl(thiazol-4-ylme...)Show SMILES CCN(Cc1cscn1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H14F6N2OS/c1-2-23(7-11-8-25-9-22-11)12-5-3-10(4-6-12)13(24,14(16,17)18)15(19,20)21/h3-6,8-9,24H,2,7H2,1H3 | PDB
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F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192128
(2-(4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES Cc1oc(nc1CN(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1cccc(Cl)c1 Show InChI InChI=1S/C22H16ClF9N2O2/c1-12-17(33-18(36-12)13-3-2-4-15(23)9-13)10-34(11-19(24,25)26)16-7-5-14(6-8-16)20(35,21(27,28)29)22(30,31)32/h2-9,35H,10-11H2,1H3 | PDB
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F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192139
(CHEMBL214687 | methyl 3-(4-(2-((2-chloro-4-(1,1,1,...)Show SMILES CCN(C(COc1ccc(CCC(=O)OC)cc1)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H28ClF6NO4/c1-3-37(24-15-12-21(17-23(24)30)27(39,28(31,32)33)29(34,35)36)25(20-7-5-4-6-8-20)18-41-22-13-9-19(10-14-22)11-16-26(38)40-2/h4-10,12-15,17,25,39H,3,11,16,18H2,1-2H3 | PDB
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F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192127
(2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan...)Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(C)(C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C22H24F6N2O2/c1-5-30(19(2,18(31)29(3)4)15-9-7-6-8-10-15)17-13-11-16(12-14-17)20(32,21(23,24)25)22(26,27)28/h6-14,32H,5H2,1-4H3 | PDB
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F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192133
(2-(4-(benzyl(2,2,2-trifluoroethyl)amino)phenyl)-1,...)Show SMILES OC(c1ccc(cc1)N(Cc1ccccc1)CC(F)(F)F)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H14F9NO/c19-15(20,21)11-28(10-12-4-2-1-3-5-12)14-8-6-13(7-9-14)16(29,17(22,23)24)18(25,26)27/h1-9,29H,10-11H2 | PDB
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F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192124
(2-(3-chloro-4-(ethyl(2-hydroxy-1-phenylethyl)amino...)Show SMILES CCN(C(CO)c1ccccc1)c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H18ClF6NO2/c1-2-27(16(11-28)12-6-4-3-5-7-12)15-9-8-13(10-14(15)20)17(29,18(21,22)23)19(24,25)26/h3-10,16,28-29H,2,11H2,1H3 | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192123
(2-(4-(ethyl(2-methoxy-1-phenylethyl)amino)phenyl)-...)Show SMILES CCN(C(COC)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H21F6NO2/c1-3-27(17(13-29-2)14-7-5-4-6-8-14)16-11-9-15(10-12-16)18(28,19(21,22)23)20(24,25)26/h4-12,17,28H,3,13H2,1-2H3 | PDB
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F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192121
(2-(4-((2-(benzyloxy)-1-phenylethyl)(ethyl)amino)ph...)Show SMILES CCN(C(COCc1ccccc1)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H25F6NO2/c1-2-33(22-15-13-21(14-16-22)24(34,25(27,28)29)26(30,31)32)23(20-11-7-4-8-12-20)18-35-17-19-9-5-3-6-10-19/h3-16,23,34H,2,17-18H2,1H3 | PDB
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F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192140
((S)-2-(4-(ethyl(2-hydroxy-1-phenylethyl)amino)phen...)Show SMILES CCN([C@H](CO)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H19F6NO2/c1-2-26(16(12-27)13-6-4-3-5-7-13)15-10-8-14(9-11-15)17(28,18(20,21)22)19(23,24)25/h3-11,16,27-28H,2,12H2,1H3/t16-/m1/s1 | PDB
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F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192155
(2-(4-(ethyl(pyridin-2-ylmethyl)amino)phenyl)-1,1,1...)Show SMILES CCN(Cc1ccccn1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O/c1-2-25(11-13-5-3-4-10-24-13)14-8-6-12(7-9-14)15(26,16(18,19)20)17(21,22)23/h3-10,26H,2,11H2,1H3 | PDB
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| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192114
(2-(2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypro...)Show SMILES CCN(C(COCC(=O)N(C)C)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H26F6N2O3/c1-4-31(19(16-8-6-5-7-9-16)14-34-15-20(32)30(2)3)18-12-10-17(11-13-18)21(33,22(24,25)26)23(27,28)29/h5-13,19,33H,4,14-15H2,1-3H3 | PDB
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F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192147
(2-(4-(ethyl(2-hydroxy-2-phenylethyl)amino)phenyl)-...)Show SMILES CCN(CC(O)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H19F6NO2/c1-2-26(12-16(27)13-6-4-3-5-7-13)15-10-8-14(9-11-15)17(28,18(20,21)22)19(23,24)25/h3-11,16,27-28H,2,12H2,1H3 | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192116
((R)-2-(4-(ethyl(2-hydroxy-1-phenylethyl)amino)phen...)Show SMILES CCN([C@@H](CO)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H19F6NO2/c1-2-26(16(12-27)13-6-4-3-5-7-13)15-10-8-14(9-11-15)17(28,18(20,21)22)19(23,24)25/h3-11,16,27-28H,2,12H2,1H3/t16-/m0/s1 | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192125
(CHEMBL385052 | methyl 2-(2-(ethyl(4-(1,1,1,3,3,3-h...)Show SMILES CCN(C(COCC(=O)OC)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H23F6NO4/c1-3-29(18(13-33-14-19(30)32-2)15-7-5-4-6-8-15)17-11-9-16(10-12-17)20(31,21(23,24)25)22(26,27)28/h4-12,18,31H,3,13-14H2,1-2H3 | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192151
(2-(4-(ethyl(phenethyl)amino)phenyl)-1,1,1,3,3,3-he...)Show SMILES CCN(CCc1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H19F6NO/c1-2-26(13-12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)17(27,18(20,21)22)19(23,24)25/h3-11,27H,2,12-13H2,1H3 | PDB
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| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192120
(2-(4-(ethyl(2-hydroxy-1-phenylethyl)amino)phenyl)-...)Show SMILES CCN(C(CO)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H19F6NO2/c1-2-26(16(12-27)13-6-4-3-5-7-13)15-10-8-14(9-11-15)17(28,18(20,21)22)19(23,24)25/h3-11,16,27-28H,2,12H2,1H3 | PDB
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192132
(CHEMBL214942 | methyl 2-(ethyl(4-(1,1,1,3,3,3-hexa...)Show SMILES CCN(C(C(=O)OC)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H19F6NO3/c1-3-27(16(17(28)30-2)13-7-5-4-6-8-13)15-11-9-14(10-12-15)18(29,19(21,22)23)20(24,25)26/h4-12,16,29H,3H2,1-2H3 | PDB
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192146
(2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan...)Show SMILES CCN(C(C(=O)N1CCCCC1)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H26F6N2O2/c1-2-32(19-13-11-18(12-14-19)22(34,23(25,26)27)24(28,29)30)20(17-9-5-3-6-10-17)21(33)31-15-7-4-8-16-31/h3,5-6,9-14,20,34H,2,4,7-8,15-16H2,1H3 | PDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192112
(2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan...)Show SMILES CCN(C(C(=O)N1CCOCC1)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H24F6N2O3/c1-2-31(18-10-8-17(9-11-18)21(33,22(24,25)26)23(27,28)29)19(16-6-4-3-5-7-16)20(32)30-12-14-34-15-13-30/h3-11,19,33H,2,12-15H2,1H3 | PDB
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192111
(2-(4-(ethyl(pyridin-4-ylmethyl)amino)phenyl)-1,1,1...)Show SMILES CCN(Cc1ccncc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O/c1-2-25(11-12-7-9-24-10-8-12)14-5-3-13(4-6-14)15(26,16(18,19)20)17(21,22)23/h3-10,26H,2,11H2,1H3 | PDB
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| n/a | n/a | 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192135
(2-(4-(ethyl(pyridin-3-ylmethyl)amino)phenyl)-1,1,1...)Show SMILES CCN(Cc1cccnc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O/c1-2-25(11-12-4-3-9-24-10-12)14-7-5-13(6-8-14)15(26,16(18,19)20)17(21,22)23/h3-10,26H,2,11H2,1H3 | PDB
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| n/a | n/a | 2.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192122
(2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan...)Show SMILES CCN(C(C(=O)N(C)C)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H22F6N2O2/c1-4-29(17(18(30)28(2)3)14-8-6-5-7-9-14)16-12-10-15(11-13-16)19(31,20(22,23)24)21(25,26)27/h5-13,17,31H,4H2,1-3H3 | PDB
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| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192129
(2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan...)Show SMILES CCN(C(C(O)=O)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H17F6NO3/c1-2-26(15(16(27)28)12-6-4-3-5-7-12)14-10-8-13(9-11-14)17(29,18(20,21)22)19(23,24)25/h3-11,15,29H,2H2,1H3,(H,27,28) | PDB
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| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192110
(2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan...)Show SMILES CCN(C(C(=O)NC)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H20F6N2O2/c1-3-28(16(17(29)27-2)13-7-5-4-6-8-13)15-11-9-14(10-12-15)18(30,19(21,22)23)20(24,25)26/h4-12,16,30H,3H2,1-2H3,(H,27,29) | PDB
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| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192119
(2-(2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypro...)Show SMILES CCN(C(COCC(=O)NC)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H24F6N2O3/c1-3-30(18(13-33-14-19(31)29-2)15-7-5-4-6-8-15)17-11-9-16(10-12-17)20(32,21(23,24)25)22(26,27)28/h4-12,18,32H,3,13-14H2,1-2H3,(H,29,31) | PDB
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| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192143
(2-(4-(ethyl(2-(2-hydroxyethoxy)-1-phenylethyl)amin...)Show SMILES CCN(C(COCCO)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H23F6NO3/c1-2-28(18(14-31-13-12-29)15-6-4-3-5-7-15)17-10-8-16(9-11-17)19(30,20(22,23)24)21(25,26)27/h3-11,18,29-30H,2,12-14H2,1H3 | PDB
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| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50192130
(2-(2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypro...)Show SMILES CCN(C(COCC(O)=O)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H21F6NO4/c1-2-28(17(12-32-13-18(29)30)14-6-4-3-5-7-14)16-10-8-15(9-11-16)19(31,20(22,23)24)21(25,26)27/h3-11,17,31H,2,12-13H2,1H3,(H,29,30) | PDB
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| n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to LXRbeta by radioligand displacement assay |
Bioorg Med Chem Lett 16: 5231-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80 |
More data for this
Ligand-Target Pair | |
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