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Compile Data Set for Download or QSAR

Found 568 hits with Last Name = 'saez' and Initial = 'e'   
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
Liver X receptor (LXR alpha AND 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/a 23n/an/an/an/an/an/a



GNF



Assay Description
SPA assays were run in displacement mode using 30 nM [3H]-GW3965. Ligands were tested in 12-point dose-response curves starting at 20 uM. IC50 values...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20132
PNG
((2R)-5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-...)
Show SMILES COc1cccc([C@H]2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |r,c:9|
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3/t23-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



GNF



Assay Description
SPA assays were run in displacement mode using 30 nM [3H]-GW3965. Ligands were tested in 12-point dose-response curves starting at 20 uM. IC50 values...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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/a 121n/an/an/an/an/an/a



GNF



Assay Description
SPA assays were run in displacement mode using 30 nM [3H]-GW3965. Ligands were tested in 12-point dose-response curves starting at 20 uM. IC50 values...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen-induced gene 1 protein (AIG1)


(Homo sapiens (Human))
BDBM195603
PNG
(KC01)
Show SMILES CCCCCCCCCCCCCC1OC(=O)\C1=C/CCCCC(N)=O
Show InChI InChI=1/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-19(22(25)26-20)16-13-12-15-18-21(23)24/h16,20H,2-15,17-18H2,1H3,(H2,23,24)/b19-16-
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n/an/a 170n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Tissue and cell proteomes (50 μL) were treated with either FP-rhodamine (1 μM) or WHP01 (2 μM) for 30 min at 37 C. The reactions were...


Nat Chem Biol 12: 367-72 (2016)


Article DOI: 10.1038/nchembio.2051
BindingDB Entry DOI: 10.7270/Q2N015CW
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20131
PNG
(5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3
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n/an/a 300n/an/an/an/an/an/a



GNF



Assay Description
SPA assays were run in displacement mode using 30 nM [3H]-GW3965. Ligands were tested in 12-point dose-response curves starting at 20 uM. IC50 values...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Androgen-induced gene 1 protein (AIG1)


(Homo sapiens (Human))
BDBM195604
PNG
(JJH260)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCN2C(C1)C(=O)N(OC(=O)N1CCC(CCc3ccc(Cl)cc3)CC1)C2=O
Show InChI InChI=1/C29H34ClN5O5/c1-31(2)24-11-7-22(8-12-24)26(36)33-17-18-34-25(19-33)27(37)35(28(34)38)40-29(39)32-15-13-21(14-16-32)4-3-20-5-9-23(30)10-6-20/h5-12,21,25H,3-4,13-19H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Tissue and cell proteomes (50 μL) were treated with either FP-rhodamine (1 μM) or WHP01 (2 μM) for 30 min at 37 C. The reactions were...


Nat Chem Biol 12: 367-72 (2016)


Article DOI: 10.1038/nchembio.2051
BindingDB Entry DOI: 10.7270/Q2N015CW
More data for this
Ligand-Target Pair
Androgen-dependent TFPI-regulating protein (ADTRP)


(Homo sapiens (Human))
BDBM195603
PNG
(KC01)
Show SMILES CCCCCCCCCCCCCC1OC(=O)\C1=C/CCCCC(N)=O
Show InChI InChI=1/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-19(22(25)26-20)16-13-12-15-18-21(23)24/h16,20H,2-15,17-18H2,1H3,(H2,23,24)/b19-16-
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n/an/a 1.30E+3n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Tissue and cell proteomes (50 μL) were treated with either FP-rhodamine (1 μM) or WHP01 (2 μM) for 30 min at 37 C. The reactions were...


Nat Chem Biol 12: 367-72 (2016)


Article DOI: 10.1038/nchembio.2051
BindingDB Entry DOI: 10.7270/Q2N015CW
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20132
PNG
((2R)-5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-...)
Show SMILES COc1cccc([C@H]2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |r,c:9|
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3/t23-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



GNF



Assay Description
SPA assays were run in displacement mode using 30 nM [3H]-GW3965. Ligands were tested in 12-point dose-response curves starting at 20 uM. IC50 values...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Androgen-dependent TFPI-regulating protein (ADTRP)


(Homo sapiens (Human))
BDBM195604
PNG
(JJH260)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCN2C(C1)C(=O)N(OC(=O)N1CCC(CCc3ccc(Cl)cc3)CC1)C2=O
Show InChI InChI=1/C29H34ClN5O5/c1-31(2)24-11-7-22(8-12-24)26(36)33-17-18-34-25(19-33)27(37)35(28(34)38)40-29(39)32-15-13-21(14-16-32)4-3-20-5-9-23(30)10-6-20/h5-12,21,25H,3-4,13-19H2,1-2H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Tissue and cell proteomes (50 μL) were treated with either FP-rhodamine (1 μM) or WHP01 (2 μM) for 30 min at 37 C. The reactions were...


Nat Chem Biol 12: 367-72 (2016)


Article DOI: 10.1038/nchembio.2051
BindingDB Entry DOI: 10.7270/Q2N015CW
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20131
PNG
(5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3
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n/an/a 9.80E+3n/an/an/an/an/an/a



GNF



Assay Description
SPA assays were run in displacement mode using 30 nM [3H]-GW3965. Ligands were tested in 12-point dose-response curves starting at 20 uM. IC50 values...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 97n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20131
PNG
(5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3
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n/an/an/an/a 2.30E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20132
PNG
((2R)-5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-...)
Show SMILES COc1cccc([C@H]2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |r,c:9|
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3/t23-/m1/s1
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n/an/an/an/a 1.60E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20133
PNG
(2-(2,3-dimethoxyphenyl)-5-(4-fluorophenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(F)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H16F4N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3
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n/an/an/an/a 1.40E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20134
PNG
(2-(2,3-dimethoxyphenyl)-5-(4-methylphenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(C)cc2)c1OC |c:9|
Show InChI InChI=1S/C24H19F3N2O3S/c1-13-7-9-14(10-8-13)22-28-29(23(30)20-17(26)11-15(25)12-18(20)27)24(33-22)16-5-4-6-19(31-2)21(16)32-3/h4-12,24H,1-3H3
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n/an/an/an/a 1.40E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20135
PNG
(5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-[(2,4,6-t...)
Show SMILES COc1ccccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(Cl)cc1 |c:11|
Show InChI InChI=1S/C22H14ClF3N2O2S/c1-30-18-5-3-2-4-15(18)22-28(21(29)19-16(25)10-14(24)11-17(19)26)27-20(31-22)12-6-8-13(23)9-7-12/h2-11,22H,1H3
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n/an/an/an/a 180n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20136
PNG
(2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-3-...)
Show SMILES COc1cc(F)ccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 |c:12|
Show InChI InChI=1S/C22H13F5N2O2S/c1-31-18-10-13(24)6-7-15(18)22-29(21(30)19-16(26)8-14(25)9-17(19)27)28-20(32-22)11-2-4-12(23)5-3-11/h2-10,22H,1H3
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n/an/an/an/a 70n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20137
PNG
(2-[2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-3...)
Show SMILES FC(F)Oc1ccccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 |c:13|
Show InChI InChI=1S/C22H12F6N2O2S/c23-12-7-5-11(6-8-12)19-29-30(20(31)18-15(25)9-13(24)10-16(18)26)21(33-19)14-3-1-2-4-17(14)32-22(27)28/h1-10,21-22H
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n/an/an/an/a 1.90E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20138
PNG
(5-(4-chlorophenyl)-2-(2,2-difluoro-2H-1,3-benzodio...)
Show SMILES Fc1cc(F)c(C(=O)N2N=C(SC2c2cccc3OC(F)(F)Oc23)c2ccc(Cl)cc2)c(F)c1 |c:9|
Show InChI InChI=1S/C22H10ClF5N2O3S/c23-11-6-4-10(5-7-11)19-29-30(20(31)17-14(25)8-12(24)9-15(17)26)21(34-19)13-2-1-3-16-18(13)33-22(27,28)32-16/h1-9,21H
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n/an/an/an/a 3.90E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20139
PNG
(5-(4-fluorophenyl)-2-(2-methoxypyridin-3-yl)-3-[(2...)
Show SMILES COc1ncccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 |c:11|
Show InChI InChI=1S/C21H13F4N3O2S/c1-30-18-14(3-2-8-26-18)21-28(20(29)17-15(24)9-13(23)10-16(17)25)27-19(31-21)11-4-6-12(22)7-5-11/h2-10,21H,1H3
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n/an/an/an/a 400n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20140
PNG
(5-(4-chlorophenyl)-3-[(2,4-difluorophenyl)carbonyl...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2ccc(F)cc2F)c2ccc(Cl)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H17ClF2N2O3S/c1-30-19-5-3-4-17(20(19)31-2)23-28(22(29)16-11-10-15(25)12-18(16)26)27-21(32-23)13-6-8-14(24)9-7-13/h3-12,23H,1-2H3
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n/an/an/an/a 6.70E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20141
PNG
(5-(3,4-difluorophenyl)-2-(2,3-dimethoxyphenyl)-3-[...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2cccc(F)c2)c2ccc(F)c(F)c2)c1OC |c:9|
Show InChI InChI=1S/C23H17F3N2O3S/c1-30-19-8-4-7-16(20(19)31-2)23-28(22(29)14-5-3-6-15(24)11-14)27-21(32-23)13-9-10-17(25)18(26)12-13/h3-12,23H,1-2H3
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n/an/an/an/a 1.50E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20142
PNG
(3-[(3,5-difluorophenyl)carbonyl]-2-(2,3-dimethoxyp...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2cc(F)cc(F)c2)c2ccc(F)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H17F3N2O3S/c1-30-19-5-3-4-18(20(19)31-2)23-28(22(29)14-10-16(25)12-17(26)11-14)27-21(32-23)13-6-8-15(24)9-7-13/h3-12,23H,1-2H3
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n/an/an/an/a 2.10E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20143
PNG
(2-(2,3-dimethoxyphenyl)-3-[(5-fluoro-2-methylpheny...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2cc(F)ccc2C)c2ccc(F)cc2)c1OC |c:9|
Show InChI InChI=1S/C24H20F2N2O3S/c1-14-7-10-17(26)13-19(14)23(29)28-24(18-5-4-6-20(30-2)21(18)31-3)32-22(27-28)15-8-11-16(25)12-9-15/h4-13,24H,1-3H3
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n/an/an/an/a 2.40E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20144
PNG
(3-[(2,6-difluoro-4-methoxyphenyl)carbonyl]-2-(2,3-...)
Show SMILES COc1cc(F)c(C(=O)N2N=C(SC2c2cccc(OC)c2OC)c2ccc(F)cc2)c(F)c1 |c:10|
Show InChI InChI=1S/C24H19F3N2O4S/c1-31-15-11-17(26)20(18(27)12-15)23(30)29-24(16-5-4-6-19(32-2)21(16)33-3)34-22(28-29)13-7-9-14(25)10-8-13/h4-12,24H,1-3H3
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n/an/an/an/a 900n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20145
PNG
(3-[(4-bromo-2,6-difluorophenyl)carbonyl]-2-(2,3-di...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(Br)cc2F)c2ccc(F)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H16BrF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-13(24)11-17(19)27)28-21(33-23)12-6-8-14(25)9-7-12/h3-11,23H,1-2H3
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n/an/an/an/a 900n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20146
PNG
(2-(2,3-dimethoxyphenyl)-5-(4-fluorophenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2cc(F)c(F)c(OC)c2F)c2ccc(F)cc2)c1OC |c:9|
Show InChI InChI=1S/C24H18F4N2O4S/c1-32-17-6-4-5-14(20(17)33-2)24-30(29-22(35-24)12-7-9-13(25)10-8-12)23(31)15-11-16(26)19(28)21(34-3)18(15)27/h4-11,24H,1-3H3
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n/an/an/an/a 700n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND 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 27n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20131
PNG
(5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3
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n/an/an/an/a 300n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20132
PNG
((2R)-5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-...)
Show SMILES COc1cccc([C@H]2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |r,c:9|
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3/t23-/m1/s1
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n/an/an/an/a 67n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20133
PNG
(2-(2,3-dimethoxyphenyl)-5-(4-fluorophenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(F)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H16F4N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3
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n/an/an/an/a 76n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20134
PNG
(2-(2,3-dimethoxyphenyl)-5-(4-methylphenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(C)cc2)c1OC |c:9|
Show InChI InChI=1S/C24H19F3N2O3S/c1-13-7-9-14(10-8-13)22-28-29(23(30)20-17(26)11-15(25)12-18(20)27)24(33-22)16-5-4-6-19(31-2)21(16)32-3/h4-12,24H,1-3H3
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n/an/an/an/a 200n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20147
PNG
(5-(3,4-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-3-[...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)c(Cl)c2)c1OC |c:9|
Show InChI InChI=1S/C23H15Cl2F3N2O3S/c1-32-18-5-3-4-13(20(18)33-2)23-30(22(31)19-16(27)9-12(26)10-17(19)28)29-21(34-23)11-6-7-14(24)15(25)8-11/h3-10,23H,1-2H3
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n/an/an/an/a>1.00E+4n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20135
PNG
(5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-[(2,4,6-t...)
Show SMILES COc1ccccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(Cl)cc1 |c:11|
Show InChI InChI=1S/C22H14ClF3N2O2S/c1-30-18-5-3-2-4-15(18)22-28(21(29)19-16(25)10-14(24)11-17(19)26)27-20(31-22)12-6-8-13(23)9-7-12/h2-11,22H,1H3
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n/an/an/an/a 35n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20148
PNG
(5-(4-chlorophenyl)-2-(3-methoxyphenyl)-3-[(2,4,6-t...)
Show SMILES COc1cccc(c1)C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(Cl)cc1 |c:11|
Show InChI InChI=1S/C22H14ClF3N2O2S/c1-30-16-4-2-3-13(9-16)22-28(21(29)19-17(25)10-15(24)11-18(19)26)27-20(31-22)12-5-7-14(23)8-6-12/h2-11,22H,1H3
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n/an/an/an/a 3.70E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20136
PNG
(2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-3-...)
Show SMILES COc1cc(F)ccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 |c:12|
Show InChI InChI=1S/C22H13F5N2O2S/c1-31-18-10-13(24)6-7-15(18)22-29(21(30)19-16(26)8-14(25)9-17(19)27)28-20(32-22)11-2-4-12(23)5-3-11/h2-10,22H,1H3
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n/an/an/an/a 6n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20149
PNG
(5-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-...)
Show SMILES Fc1cc(F)c(C(=O)N2N=C(SC2c2ccccc2OC(F)(F)F)c2ccc(Cl)cc2)c(F)c1 |c:9|
Show InChI InChI=1S/C22H11ClF6N2O2S/c23-12-7-5-11(6-8-12)19-30-31(20(32)18-15(25)9-13(24)10-16(18)26)21(34-19)14-3-1-2-4-17(14)33-22(27,28)29/h1-10,21H
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n/an/an/an/a 3.40E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20137
PNG
(2-[2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-3...)
Show SMILES FC(F)Oc1ccccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 |c:13|
Show InChI InChI=1S/C22H12F6N2O2S/c23-12-7-5-11(6-8-12)19-29-30(20(31)18-15(25)9-13(24)10-16(18)26)21(33-19)14-3-1-2-4-17(14)32-22(27)28/h1-10,21-22H
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n/an/an/an/a 150n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20138
PNG
(5-(4-chlorophenyl)-2-(2,2-difluoro-2H-1,3-benzodio...)
Show SMILES Fc1cc(F)c(C(=O)N2N=C(SC2c2cccc3OC(F)(F)Oc23)c2ccc(Cl)cc2)c(F)c1 |c:9|
Show InChI InChI=1S/C22H10ClF5N2O3S/c23-11-6-4-10(5-7-11)19-29-30(20(31)17-14(25)8-12(24)9-15(17)26)21(34-19)13-2-1-3-16-18(13)33-22(27,28)32-16/h1-9,21H
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n/an/an/an/a 800n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20139
PNG
(5-(4-fluorophenyl)-2-(2-methoxypyridin-3-yl)-3-[(2...)
Show SMILES COc1ncccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 |c:11|
Show InChI InChI=1S/C21H13F4N3O2S/c1-30-18-14(3-2-8-26-18)21-28(20(29)17-15(24)9-13(23)10-16(17)25)27-19(31-21)11-4-6-12(22)7-5-11/h2-10,21H,1H3
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n/an/an/an/a 210n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20150
PNG
(5-(4-fluorophenyl)-2-(2-methoxyphenyl)-2-methyl-3-...)
Show SMILES COc1ccccc1C1(C)SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 |c:12|
Show InChI InChI=1S/C23H16F4N2O2S/c1-23(16-5-3-4-6-19(16)31-2)29(22(30)20-17(26)11-15(25)12-18(20)27)28-21(32-23)13-7-9-14(24)10-8-13/h3-12H,1-2H3
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n/an/an/an/a 4.00E+3n/an/an/an/a



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20151
PNG
(5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-[(2-f...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2ccccc2F)c2ccc(Cl)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H18ClFN2O3S/c1-29-19-9-5-7-17(20(19)30-2)23-27(22(28)16-6-3-4-8-18(16)25)26-21(31-23)14-10-12-15(24)13-11-14/h3-13,23H,1-2H3
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n/an/an/an/a 7.70E+3n/an/an/an/a



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20140
PNG
(5-(4-chlorophenyl)-3-[(2,4-difluorophenyl)carbonyl...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2ccc(F)cc2F)c2ccc(Cl)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H17ClF2N2O3S/c1-30-19-5-3-4-17(20(19)31-2)23-28(22(29)16-11-10-15(25)12-18(16)26)27-21(32-23)13-6-8-14(24)9-7-13/h3-12,23H,1-2H3
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n/an/an/an/a 980n/an/an/an/a



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20152
PNG
(2-(2,3-dimethoxyphenyl)-5-(4-fluorophenyl)-3-[(2,3...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)ccc(F)c2F)c2ccc(F)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H16F4N2O3S/c1-31-17-5-3-4-14(20(17)32-2)23-29(22(30)18-15(25)10-11-16(26)19(18)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3
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n/an/an/an/a 970n/an/an/an/a



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20153
PNG
(2-(2,3-dimethoxyphenyl)-5-(4-fluorophenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2cc(F)c(F)cc2F)c2ccc(F)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H16F4N2O3S/c1-31-19-5-3-4-14(20(19)32-2)23-29(22(30)15-10-17(26)18(27)11-16(15)25)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3
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n/an/an/an/a 600n/an/an/an/a



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20141
PNG
(5-(3,4-difluorophenyl)-2-(2,3-dimethoxyphenyl)-3-[...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2cccc(F)c2)c2ccc(F)c(F)c2)c1OC |c:9|
Show InChI InChI=1S/C23H17F3N2O3S/c1-30-19-8-4-7-16(20(19)31-2)23-28(22(29)14-5-3-6-15(24)11-14)27-21(32-23)13-9-10-17(25)18(26)12-13/h3-12,23H,1-2H3
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n/an/an/an/a 560n/an/an/an/a



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20142
PNG
(3-[(3,5-difluorophenyl)carbonyl]-2-(2,3-dimethoxyp...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2cc(F)cc(F)c2)c2ccc(F)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H17F3N2O3S/c1-30-19-5-3-4-18(20(19)31-2)23-28(22(29)14-10-16(25)12-17(26)11-14)27-21(32-23)13-6-8-15(24)9-7-13/h3-12,23H,1-2H3
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n/an/an/an/a 470n/an/an/an/a



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20154
PNG
(3-[(3-chlorophenyl)carbonyl]-2-(2,3-dimethoxypheny...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2cccc(Cl)c2)c2ccc(F)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H18ClFN2O3S/c1-29-19-8-4-7-18(20(19)30-2)23-27(22(28)15-5-3-6-16(24)13-15)26-21(31-23)14-9-11-17(25)12-10-14/h3-13,23H,1-2H3
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n/an/an/an/a 250n/an/an/an/a



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20143
PNG
(2-(2,3-dimethoxyphenyl)-3-[(5-fluoro-2-methylpheny...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2cc(F)ccc2C)c2ccc(F)cc2)c1OC |c:9|
Show InChI InChI=1S/C24H20F2N2O3S/c1-14-7-10-17(26)13-19(14)23(29)28-24(18-5-4-6-20(30-2)21(18)31-3)32-22(27-28)15-8-11-16(25)12-9-15/h4-13,24H,1-3H3
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n/an/an/an/a 140n/an/an/an/a



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20144
PNG
(3-[(2,6-difluoro-4-methoxyphenyl)carbonyl]-2-(2,3-...)
Show SMILES COc1cc(F)c(C(=O)N2N=C(SC2c2cccc(OC)c2OC)c2ccc(F)cc2)c(F)c1 |c:10|
Show InChI InChI=1S/C24H19F3N2O4S/c1-31-15-11-17(26)20(18(27)12-15)23(30)29-24(16-5-4-6-19(32-2)21(16)33-3)34-22(28-29)13-7-9-14(25)10-8-13/h4-12,24H,1-3H3
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n/an/an/an/a 170n/an/an/an/a



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
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