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Compile Data Set for Download or QSAR

Found 6 hits of kd for UniProtKB: P55055   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50515036
PNG
(CHEMBL4584267)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(COC(=O)CCCCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C48H49F3N6O10S2/c1-27(2)38-24-56(31-10-8-28(25-58)41(20-31)69(3,63)64)17-18-57(38)45-53-23-29(43(55-45)48(49,50)51)26-65-42(61)7-5-4-6-16-52-46(68)54-30-9-13-35-34(19-30)44(62)67-47(35)36-14-11-32(59)21-39(36)66-40-22-33(60)12-15-37(40)47/h8-15,19-23,27,38,58-60H,4-7,16-18,24-26H2,1-3H3,(H2,52,54,68)/t38-/m0/s1
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n/an/an/a 49n/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 30 mins by...


Eur J Med Chem 178: 458-467 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.011
BindingDB Entry DOI: 10.7270/Q2BC42WH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50515025
PNG
(CHEMBL4464514)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 |r|
Show InChI InChI=1S/C51H65N3O8S/c1-29(36-15-16-37-34-28-43(58)42-25-33(57)18-20-50(42,3)38(34)19-21-49(36,37)2)8-17-46(59)52-22-6-4-5-7-23-53-48(63)54-30-9-12-39-35(24-30)47(60)62-51(39)40-13-10-31(55)26-44(40)61-45-27-32(56)11-14-41(45)51/h9-14,24,26-27,29,33-34,36-38,42-43,55-58H,4-8,15-23,25,28H2,1-3H3,(H,52,59)(H2,53,54,63)/t29-,33-,34+,36-,37+,38+,42+,43+,49-,50-/m1/s1
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n/an/an/a 92n/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 30 mins by...


Eur J Med Chem 178: 458-467 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.011
BindingDB Entry DOI: 10.7270/Q2BC42WH
More data for this
Ligand-Target Pair
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/a 103n/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Binding affinity to human LXRbeta-LBD by surface plasmon resonance


Bioorg Med Chem Lett 23: 4185-90 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.030
BindingDB Entry DOI: 10.7270/Q2NK3GF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50461063
PNG
(CHEMBL4226803 | US10457637, Compound 8)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)[S@@](C)(=N)=O |r|
Show InChI InChI=1S/C25H36N2O5S2/c1-5-20-6-8-22(9-7-20)27(17-19(2)3)34(29,30)23-10-11-24(25(16-23)33(4,26)28)32-18-21-12-14-31-15-13-21/h6-11,16,19,21,26H,5,12-15,17-18H2,1-4H3/t33-/m0/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Activity at LXRbeta (unknown origin) expressed in human HeLa-derived HG5LN cells transfected with the GAL4 DNA-binding domain fused to the LXRbeta li...


Bioorg Med Chem Lett 28: 1269-1273 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.041
BindingDB Entry DOI: 10.7270/Q2WD437Q
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50203462
PNG
(CHEMBL3931161)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H17ClF3N3O4/c1-30(2)22(32)14-8-11-19-16(12-14)21(29-31(19)15-9-6-13(7-10-15)23(33)34)35-20-17(24(26,27)28)4-3-5-18(20)25/h3-12H,1-2H3,(H,33,34)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Activity at GAL4 DBD-fused LXRbeta LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50241503
PNG
(2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopy...)
Show SMILES Oc1cc2oc(c(O)cc2c(=[OH+])c1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6,16-17,19-20H/p+1
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n/an/an/a 7.32E+4n/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Binding affinity to human LXRbeta-LBD by surface plasmon resonance


Bioorg Med Chem Lett 23: 4185-90 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.030
BindingDB Entry DOI: 10.7270/Q2NK3GF4
More data for this
Ligand-Target Pair