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PubMed code 19239230

Compile data set for download or QSAR
Found 42 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoid receptor


(Homo sapiens (Human))
BDBM50413253
PNG
(CHEMBL470587)
Show SMILES CCCCCCCCOc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H26O3/c1-2-3-4-5-6-7-16-24-20-14-12-18(13-15-20)17-8-10-19(11-9-17)21(22)23/h8-15H,2-7,16H2,1H3,(H,22,23)
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n/an/an/an/a 100n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413272
PNG
(AC-261066 | CHEMBL198997)
Show SMILES CCCCOCCOc1nc(sc1C)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21)
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n/an/an/an/a 501n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARgamma expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052414
PNG
(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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n/an/an/an/a 50.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50413261
PNG
(AC-55649 | CHEMBL425027)
Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)
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n/an/an/an/a 2.00E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413263
PNG
(CHEMBL472213)
Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C21H25FO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-14-13-18(21(23)24)15-20(19)22/h9-15H,2-8H2,1H3,(H,23,24)
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n/an/an/an/a 100n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413264
PNG
(CHEMBL472236)
Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc(C(O)=O)c(C)c1
Show InChI InChI=1S/C22H28O2/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)20-14-15-21(22(23)24)17(2)16-20/h10-16H,3-9H2,1-2H3,(H,23,24)
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n/an/an/an/a 631n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413268
PNG
(CHEMBL471423)
Show SMILES CCCCCCCc1cnc(nc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H22N2O2/c1-2-3-4-5-6-7-14-12-19-17(20-13-14)15-8-10-16(11-9-15)18(21)22/h8-13H,2-7H2,1H3,(H,21,22)
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n/an/an/an/a 1.00E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052414
PNG
(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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n/an/an/an/a 25.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARgamma expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413273
PNG
(CHEMBL471421)
Show SMILES CCCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H19NO4S/c1-3-8-20-9-10-21-14-11(2)22-15(17-14)12-4-6-13(7-5-12)16(18)19/h4-7H,3,8-10H2,1-2H3,(H,18,19)
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n/an/an/an/a 126n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413253
PNG
(CHEMBL470587)
Show SMILES CCCCCCCCOc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H26O3/c1-2-3-4-5-6-7-16-24-20-14-12-18(13-15-20)17-8-10-19(11-9-17)21(22)23/h8-15H,2-7,16H2,1H3,(H,22,23)
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n/an/an/an/a 1.00E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413271
PNG
(CHEMBL472238)
Show SMILES CCCCCCNC(=O)COc1nc(sc1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H24N2O4S/c1-3-4-5-6-11-20-16(22)12-25-17-13(2)26-18(21-17)14-7-9-15(10-8-14)19(23)24/h7-10H,3-6,11-12H2,1-2H3,(H,20,22)(H,23,24)
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n/an/an/an/a 39.8n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413272
PNG
(AC-261066 | CHEMBL198997)
Show SMILES CCCCOCCOc1nc(sc1C)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21)
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n/an/an/an/a 7.94n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50413272
PNG
(AC-261066 | CHEMBL198997)
Show SMILES CCCCOCCOc1nc(sc1C)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21)
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n/an/an/an/a 631n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413269
PNG
(CHEMBL471422)
Show SMILES CCCCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H21NO4S/c1-3-4-9-21-10-11-22-15-12(2)23-16(18-15)13-5-7-14(8-6-13)17(19)20/h5-8H,3-4,9-11H2,1-2H3,(H,19,20)
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n/an/an/an/a 1.26E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413269
PNG
(CHEMBL471422)
Show SMILES CCCCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H21NO4S/c1-3-4-9-21-10-11-22-15-12(2)23-16(18-15)13-5-7-14(8-6-13)17(19)20/h5-8H,3-4,9-11H2,1-2H3,(H,19,20)
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n/an/an/an/a 79.4n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413262
PNG
(CHEMBL472032)
Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C22H28O2/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)21-15-14-20(22(23)24)16-17(21)2/h10-16H,3-9H2,1-2H3,(H,23,24)
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n/an/an/an/a 100n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50413255
PNG
(CHEMBL513760)
Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C19H21FO4/c1-2-3-10-23-11-12-24-16-7-4-14(5-8-16)15-6-9-17(19(21)22)18(20)13-15/h4-9,13H,2-3,10-12H2,1H3,(H,21,22)
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n/an/an/an/a 1.58E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413260
PNG
(CHEMBL198794)
Show SMILES CCCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)20-14-16-21(17-15-20)22(23)24/h10-17H,2-9H2,1H3,(H,23,24)
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n/an/an/an/a 15.8n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413260
PNG
(CHEMBL198794)
Show SMILES CCCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)20-14-16-21(17-15-20)22(23)24/h10-17H,2-9H2,1H3,(H,23,24)
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n/an/an/an/a 316n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50052414
PNG
(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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n/an/an/an/a 79.4n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50413265
PNG
(CHEMBL524687)
Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C21H25FO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18-13-14-19(21(23)24)20(22)15-18/h9-15H,2-8H2,1H3,(H,23,24)
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n/an/an/an/a 398n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413271
PNG
(CHEMBL472238)
Show SMILES CCCCCCNC(=O)COc1nc(sc1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H24N2O4S/c1-3-4-5-6-11-20-16(22)12-25-17-13(2)26-18(21-17)14-7-9-15(10-8-14)19(23)24/h7-10H,3-6,11-12H2,1-2H3,(H,20,22)(H,23,24)
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n/an/an/an/a 631n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARgamma expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/an/a 50.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARgamma expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413259
PNG
(CHEMBL469323)
Show SMILES CCCCCCOc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H22O3/c1-2-3-4-5-14-22-18-12-10-16(11-13-18)15-6-8-17(9-7-15)19(20)21/h6-13H,2-5,14H2,1H3,(H,20,21)
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n/an/an/an/a 31.6n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052414
PNG
(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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n/an/an/an/a 19.9n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50413266
PNG
(CHEMBL471197)
Show SMILES CCCCCCCc1ccc(cc1)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C20H23FO2/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)17-12-13-18(20(22)23)19(21)14-17/h8-14H,2-7H2,1H3,(H,22,23)
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n/an/an/an/a 126n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413267
PNG
(CHEMBL371684)
Show SMILES CCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22)
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n/an/an/an/a 25.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413270
PNG
(CHEMBL512879)
Show SMILES CCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H17NO4S/c1-3-19-8-9-20-13-10(2)21-14(16-13)11-4-6-12(7-5-11)15(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)
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n/an/an/an/a 63.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50413265
PNG
(CHEMBL524687)
Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C21H25FO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18-13-14-19(21(23)24)20(22)15-18/h9-15H,2-8H2,1H3,(H,23,24)
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n/an/an/an/a 2.00E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413265
PNG
(CHEMBL524687)
Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C21H25FO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18-13-14-19(21(23)24)20(22)15-18/h9-15H,2-8H2,1H3,(H,23,24)
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n/an/an/an/a 158n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARgamma expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413254
PNG
(CHEMBL470588)
Show SMILES CCCCCCCOc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H24O3/c1-2-3-4-5-6-15-23-19-13-11-17(12-14-19)16-7-9-18(10-8-16)20(21)22/h7-14H,2-6,15H2,1H3,(H,21,22)
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n/an/an/an/a 63.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413258
PNG
(CHEMBL469281)
Show SMILES CC(C)CCCCOc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H24O3/c1-15(2)5-3-4-14-23-19-12-10-17(11-13-19)16-6-8-18(9-7-16)20(21)22/h6-13,15H,3-5,14H2,1-2H3,(H,21,22)
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n/an/an/an/a 63.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413261
PNG
(AC-55649 | CHEMBL425027)
Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)
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n/an/an/an/a 126n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/an/a 6.31n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/an/a 25.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/an/a 6.31n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413255
PNG
(CHEMBL513760)
Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C19H21FO4/c1-2-3-10-23-11-12-24-16-7-4-14(5-8-16)15-6-9-17(19(21)22)18(20)13-15/h4-9,13H,2-3,10-12H2,1H3,(H,21,22)
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n/an/an/an/a 19.9n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413256
PNG
(CHEMBL472476)
Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H22O4/c1-2-3-12-22-13-14-23-18-10-8-16(9-11-18)15-4-6-17(7-5-15)19(20)21/h4-11H,2-3,12-14H2,1H3,(H,20,21)
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n/an/an/an/a 63.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413265
PNG
(CHEMBL524687)
Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C21H25FO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18-13-14-19(21(23)24)20(22)15-18/h9-15H,2-8H2,1H3,(H,23,24)
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n/an/an/an/a 39.8n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50413261
PNG
(AC-55649 | CHEMBL425027)
Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)
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n/an/an/an/a 2.51E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413272
PNG
(AC-261066 | CHEMBL198997)
Show SMILES CCCCOCCOc1nc(sc1C)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21)
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n/an/an/an/a 398n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50413257
PNG
(CHEMBL469322)
Show SMILES CCCCOCCOc1cc(C)c(cc1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H26O4/c1-4-5-10-24-11-12-25-20-14-15(2)19(13-16(20)3)17-6-8-18(9-7-17)21(22)23/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,22,23)
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n/an/an/an/a 251n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%