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Compile Data Set for Download or QSAR

Found 880 hits of ic50 for UniProtKB: P19793   
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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276134
PNG
(2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...)
Show SMILES COc1cnc(OCc2cn(nn2)-c2ccc(F)c(Br)c2)nc1
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n/an/a 0n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50129720
PNG
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11-
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n/an/a 0n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against Retinoic acid receptor RXR-alpha by [3H]-9-cis-RA displacement.


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276542
PNG
(5-Chloro-2-[[1-(4-fluoro-3-methyl-phenyl)triazol-4...)
Show SMILES Cc1cc(ccc1F)-n1cc(COc2ncc(Cl)c(C)n2)nn1
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n/an/a 1n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276124
PNG
(2-[[1-[4-Chloro-3-(difluoromethyl)phenyl]triazol-4...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)nc1
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n/an/a 1n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276468
PNG
(2-[[1-[3-(Difluoromethyl)-4-fluoro-phenyl]triazol-...)
Show SMILES Cc1nc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)ncc1F
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n/an/a 1n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276506
PNG
(2-[[1-[4-Fluoro-3-(trifluoromethyl)phenyl]triazol-...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)(F)F)nc1C
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n/an/a 1n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276535
PNG
(2-[[1-(4-Fluoro-3-methyl-phenyl)triazol-4-yl]metho...)
Show SMILES COc1cnc(OCc2cn(nn2)-c2ccc(F)c(C)c2)nc1
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n/an/a 1n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276537
PNG
(2-[[1-(4-Fluoro-3-methyl-phenyl)triazol-4-yl]metho...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(C)c2)nc1
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n/an/a 1n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276538
PNG
(5-Ethyl-2-[[1-(4-fluoro-3-methyl-phenyl)triazol-4-...)
Show SMILES CCc1cnc(OCc2cn(nn2)-c2ccc(F)c(C)c2)nc1
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n/an/a 1n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276540
PNG
(2-[[1-(4-Fluoro-3-methyl-phenyl)triazol-4-yl]metho...)
Show SMILES Cc1cc(ccc1F)-n1cc(COc2ncc(C)c(C)n2)nn1
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n/an/a 1n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276133
PNG
(2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...)
Show SMILES CCc1cnc(OCc2cn(nn2)-c2ccc(F)c(Br)c2)nc1
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n/an/a 1n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276139
PNG
(2-[[1-[4-Chloro-3-(difluoromethyl)phenyl]triazol-4...)
Show SMILES COc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)nc1
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n/an/a 1n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276144
PNG
(2-[[1-[3-(Difluoromethyl)-4-fluoro-phenyl]triazol-...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)nc1
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n/an/a 1n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276467
PNG
(5-Chloro-2-[[1-[3-(difluoromethyl)-4-fluoro-phenyl...)
Show SMILES Cc1nc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)ncc1Cl
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n/an/a 1n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50129731
PNG
(7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C23H30F2O3/c1-14(2)18-11-19(15(3)4)23(28-13-21(24)25)20(12-18)17(6)9-7-8-16(5)10-22(26)27/h7-12,14-15,21H,13H2,1-6H3,(H,26,27)/b8-7+,16-10+,17-9-
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n/an/a 1n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Retinoic acid receptor RXR-alpha antagonist was determined in vitro


J Med Chem 46: 2683-96 (2003)


Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276109
PNG
(2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(Br)c2)nc1
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JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50135453
PNG
((2E,4E,6Z)-7-[2-(2,2-Difluoro-ethoxy)-3-isopropyl-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1cccs1
Show InChI InChI=1S/C24H26F2O3S/c1-15(2)19-12-18(21-9-6-10-30-21)13-20(24(19)29-14-22(25)26)17(4)8-5-7-16(3)11-23(27)28/h5-13,15,22H,14H2,1-4H3,(H,27,28)/b7-5+,16-11+,17-8-
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n/an/a 1.90n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro agonist efficacy against PPAR gamma along with 100 nM BRL49653


Bioorg Med Chem Lett 13: 4071-5 (2003)


BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276469
PNG
(2-[[1-[3-(Difluoromethyl)-4-fluoro-phenyl]triazol-...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)nc1C
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JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276536
PNG
(5-Chloro-2-[[1-(4-fluoro-3-methyl-phenyl)triazol-4...)
Show SMILES Cc1cc(ccc1F)-n1cc(COc2ncc(Cl)cn2)nn1
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JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276541
PNG
(5-Fluoro-2-[[1-(4-fluoro-3-methyl-phenyl)triazol-4...)
Show SMILES Cc1cc(ccc1F)-n1cc(COc2ncc(F)c(C)n2)nn1
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JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276312
PNG
(4,5-Dimethyl-2-[[1-(m-tolyl)triazol-4-yl]methoxy]p...)
Show SMILES Cc1cccc(c1)-n1cc(COc2ncc(C)c(C)n2)nn1
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JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276125
PNG
(2-[[1-[4-Chloro-3-(difluoromethyl)phenyl]triazol-4...)
Show SMILES CCc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)nc1
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JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276363
PNG
(2-[[1-[3-(1,1-Difluoroethyl)phenyl]triazol-4-yl]me...)
Show SMILES CC(F)(F)c1cccc(c1)-n1cc(COc2ncc(cn2)C(F)F)nn1
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JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276114
PNG
(2-[[1-[4-Chloro-3-(difluoromethoxy)phenyl]triazol-...)
Show SMILES Cc1ccnc(OCc2cn(nn2)-c2ccc(Cl)c(OC(F)F)c2)n1
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JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276115
PNG
(2-[[1-[4-Chloro-3-(difluoromethoxy)phenyl]triazol-...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(OC(F)F)c2)nc1
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JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276121
PNG
(5-Chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl...)
Show SMILES FC(F)Oc1cc(ccc1Cl)-n1cc(COc2ncc(Cl)cn2)nn1
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JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50135460
PNG
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-4'-fluoro-5-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C26H27F3O3/c1-16(2)22-13-20(19-8-10-21(27)11-9-19)14-23(26(22)32-15-24(28)29)18(4)7-5-6-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b6-5+,17-12+,18-7-
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n/an/a 2.20n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro anatagonist activity against RXR alpha in CV-1 cells


Bioorg Med Chem Lett 13: 4071-5 (2003)


BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276681
PNG
(2-[[1-(3-Chloro-4-fluoro-phenyl)triazol-4-yl]metho...)
Show SMILES CCc1cnc(OCc2cn(nn2)-c2ccc(F)c(Cl)c2)nc1
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JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276119
PNG
(2-[[1-[4-Chloro-3-(difluoromethoxy)phenyl]triazol-...)
Show SMILES COc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(OC(F)F)c2)nc1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276569
PNG
(4-(Azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-flu...)
Show SMILES FC(F)Oc1cc(ccc1F)-n1cc(COc2nccc(n2)N2CCC2)nn1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276594
PNG
(2-[[1-[4-Chloro-3-(1,1-difluoroethyl)phenyl]triazo...)
Show SMILES COCc1ccnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(C)(F)F)n1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276459
PNG
(5-Bromo-2-[[1-[3-(difluoromethyl)-4-fluoro-phenyl]...)
Show SMILES FC(F)c1cc(ccc1F)-n1cc(COc2ncc(Br)cn2)nn1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276466
PNG
(5-(Difluoromethoxy)-2-[[1-[3-(difluoromethyl)-4-fl...)
Show SMILES FC(F)Oc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)nc1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276340
PNG
(5-Chloro-2-[[1-[3-(difluoromethyl)phenyl]triazol-4...)
Show SMILES Cc1nc(OCc2cn(nn2)-c2cccc(c2)C(F)F)ncc1Cl
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276355
PNG
(5-Chloro-2-[[1-[3-(1,1-difluoroethyl)phenyl]triazo...)
Show SMILES CC(F)(F)c1cccc(c1)-n1cc(COc2ncc(Cl)cn2)nn1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276367
PNG
(2-[[1-[3-(1,1-Difluoroethyl)phenyl]triazol-4-yl]me...)
Show SMILES COc1cnc(OCc2cn(nn2)-c2cccc(c2)C(C)(F)F)nc1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276369
PNG
(2-[[1-[3-(1,1-Difluoroethyl)phenyl]triazol-4-yl]me...)
Show SMILES CC(F)(F)c1cccc(c1)-n1cc(COc2ncc(OC(F)F)cn2)nn1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276135
PNG
(2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...)
Show SMILES Fc1ccc(cc1Br)-n1cc(COc2ncc(Cl)cn2)nn1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276140
PNG
(5-Chloro-2-[[1-[4-chloro-3-(difluoromethyl)phenyl]...)
Show SMILES FC(F)c1cc(ccc1Cl)-n1cc(COc2ncc(Cl)cn2)nn1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276142
PNG
(5-Chloro-2-[[1-[3-(difluoromethyl)-4-fluoro-phenyl...)
Show SMILES FC(F)c1cc(ccc1F)-n1cc(COc2ncc(Cl)cn2)nn1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276154
PNG
(5-Chloro-2-[[1-[3-(difluoromethoxy)-4-fluoro-pheny...)
Show SMILES FC(F)Oc1cc(ccc1F)-n1cc(COc2ncc(Cl)cn2)nn1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276156
PNG
(2-[[1-[3-(Difluoromethoxy)-4-fluoro-phenyl]triazol...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)nc1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276174
PNG
(2-[[1-[4-Fluoro-3-(trifluoromethyl)phenyl]triazol-...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)(F)F)nc1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276178
PNG
(2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(Br)c2)nc1C
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276554
PNG
(5-Bromo-2-[[1-[3-(difluoromethoxy)-4-fluoro-phenyl...)
Show SMILES FC(F)Oc1cc(ccc1F)-n1cc(COc2ncc(Br)cn2)nn1
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n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50135450
PNG
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-2'-fluoro-5-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccccc1F
Show InChI InChI=1S/C26H27F3O3/c1-16(2)21-13-19(20-10-5-6-11-23(20)27)14-22(26(21)32-15-24(28)29)18(4)9-7-8-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b8-7+,17-12+,18-9-
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n/an/a 3.10n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro agonist efficacy against PPAR gamma along with 100 nM BRL49653


Bioorg Med Chem Lett 13: 4071-5 (2003)


BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50135452
PNG
((2E,4E,6Z)-7-[2-(2,2-Difluoro-ethoxy)-5-furan-2-yl...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccco1
Show InChI InChI=1S/C24H26F2O4/c1-15(2)19-12-18(21-9-6-10-29-21)13-20(24(19)30-14-22(25)26)17(4)8-5-7-16(3)11-23(27)28/h5-13,15,22H,14H2,1-4H3,(H,27,28)/b7-5+,16-11+,17-8-
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n/an/a 3.60n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro agonistic activity against PPAR gamma along with 100 nM BRL49653


Bioorg Med Chem Lett 13: 4071-5 (2003)


BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50135462
PNG
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-3'-fluoro-5-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1cccc(F)c1
Show InChI InChI=1S/C26H27F3O3/c1-16(2)22-13-20(19-9-6-10-21(27)12-19)14-23(26(22)32-15-24(28)29)18(4)8-5-7-17(3)11-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b7-5+,17-11+,18-8-
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n/an/a 3.90n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against RXR alpha receptor using [3H]-9-cis-RA as radioligand in CV-1 cells


Bioorg Med Chem Lett 13: 4071-5 (2003)


BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276692
PNG
(2-[[1-[4-chloro-3-(difluoromethyl)phenyl]triazol-4...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)nc1N
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n/an/a 4n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276123
PNG
(2-[[1-[4-Chloro-3-(difluoromethyl)phenyl]triazol-4...)
Show SMILES Cc1ccnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)n1
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n/an/a 4n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair
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