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PubMed code 9258350

Compile data set for download or QSAR
Found 18 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
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50471287
PNG
(CHEMBL81176)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H25NO3/c1-17-4-6-18(7-5-17)22-14-15-27(2,3)24-13-10-20(16-23(22)24)25(29)28-21-11-8-19(9-12-21)26(30)31/h4-14,16H,15H2,1-3H3,(H,28,29)(H,30,31)
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n/an/an/a 27n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]ATRA binding to baculovirus expressed RAR alpha receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50471288
PNG
(CHEMBL312198)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2c(Br)cc(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C26H20BrF2NO4/c1-13-4-6-14(7-5-13)18-12-26(2,3)34-23-17(18)8-15(9-19(23)27)24(31)30-16-10-20(28)22(25(32)33)21(29)11-16/h4-12H,1-3H3,(H,30,31)(H,32,33)
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n/an/an/a 898n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to baculovirus expressed RAR beta receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50471290
PNG
(CHEMBL81978)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2c(Br)cc(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C26H21BrFNO4/c1-14-4-6-15(7-5-14)20-13-26(2,3)33-23-19(20)10-16(11-21(23)27)24(30)29-17-8-9-18(25(31)32)22(28)12-17/h4-13H,1-3H3,(H,29,30)(H,31,32)
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n/an/an/a 2.80n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]ATRA binding to baculovirus expressed RAR alpha receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50471287
PNG
(CHEMBL81176)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H25NO3/c1-17-4-6-18(7-5-17)22-14-15-27(2,3)24-13-10-20(16-23(22)24)25(29)28-21-11-8-19(9-12-21)26(30)31/h4-14,16H,15H2,1-3H3,(H,28,29)(H,30,31)
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n/an/an/a 1.02E+3n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to baculovirus expressed RAR beta receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50471288
PNG
(CHEMBL312198)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2c(Br)cc(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C26H20BrF2NO4/c1-13-4-6-14(7-5-13)18-12-26(2,3)34-23-17(18)8-15(9-19(23)27)24(31)30-16-10-20(28)22(25(32)33)21(29)11-16/h4-12H,1-3H3,(H,30,31)(H,32,33)
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n/an/an/a 1.06E+4n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]ATRA binding to baculovirus expressed RAR gamma receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50471289
PNG
(CHEMBL310790)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C27H23F2NO3/c1-15-4-6-16(7-5-15)19-10-11-27(2,3)21-9-8-17(12-20(19)21)25(31)30-18-13-22(28)24(26(32)33)23(29)14-18/h4-10,12-14H,11H2,1-3H3,(H,30,31)(H,32,33)
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n/an/an/a 32n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]ATRA binding to baculovirus expressed RAR alpha receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(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/a 13n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to baculovirus expressed RAR beta receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50471289
PNG
(CHEMBL310790)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C27H23F2NO3/c1-15-4-6-16(7-5-15)19-10-11-27(2,3)21-9-8-17(12-20(19)21)25(31)30-18-13-22(28)24(26(32)33)23(29)14-18/h4-10,12-14H,11H2,1-3H3,(H,30,31)(H,32,33)
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n/an/an/a 2.26E+3n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to baculovirus expressed RAR beta receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(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/a 18n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]ATRA binding to baculovirus expressed RAR gamma receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50471290
PNG
(CHEMBL81978)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2c(Br)cc(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C26H21BrFNO4/c1-14-4-6-15(7-5-14)20-13-26(2,3)33-23-19(20)10-16(11-21(23)27)24(30)29-17-8-9-18(25(31)32)22(28)12-17/h4-13H,1-3H3,(H,29,30)(H,31,32)
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n/an/an/a 7.26E+3n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]ATRA binding to baculovirus expressed RAR gamma receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50471286
PNG
(CHEMBL82943)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C27H24FNO3/c1-16-4-6-17(7-5-16)20-12-13-27(2,3)23-11-8-18(14-22(20)23)25(30)29-19-9-10-21(26(31)32)24(28)15-19/h4-12,14-15H,13H2,1-3H3,(H,29,30)(H,31,32)
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n/an/an/a 5.70n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]ATRA binding to baculovirus expressed RAR alpha receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50471287
PNG
(CHEMBL81176)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H25NO3/c1-17-4-6-18(7-5-17)22-14-15-27(2,3)24-13-10-20(16-23(22)24)25(29)28-21-11-8-19(9-12-21)26(30)31/h4-14,16H,15H2,1-3H3,(H,28,29)(H,30,31)
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n/an/an/a 3.12E+3n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]ATRA binding to baculovirus expressed RAR gamma receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50471290
PNG
(CHEMBL81978)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2c(Br)cc(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C26H21BrFNO4/c1-14-4-6-15(7-5-14)20-13-26(2,3)33-23-19(20)10-16(11-21(23)27)24(30)29-17-8-9-18(25(31)32)22(28)12-17/h4-13H,1-3H3,(H,29,30)(H,31,32)
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n/an/an/a 320n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to baculovirus expressed RAR beta receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50471286
PNG
(CHEMBL82943)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C27H24FNO3/c1-16-4-6-17(7-5-16)20-12-13-27(2,3)23-11-8-18(14-22(20)23)25(30)29-19-9-10-21(26(31)32)24(28)15-19/h4-12,14-15H,13H2,1-3H3,(H,29,30)(H,31,32)
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n/an/an/a 622n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to baculovirus expressed RAR beta receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50471289
PNG
(CHEMBL310790)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C27H23F2NO3/c1-15-4-6-16(7-5-15)19-10-11-27(2,3)21-9-8-17(12-20(19)21)25(31)30-18-13-22(28)24(26(32)33)23(29)14-18/h4-10,12-14H,11H2,1-3H3,(H,30,31)(H,32,33)
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n/an/an/a>3.00E+4n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]ATRA binding to baculovirus expressed RAR gamma receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X 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/a 15n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]ATRA binding to baculovirus expressed RAR alpha receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50471288
PNG
(CHEMBL312198)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2c(Br)cc(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C26H20BrF2NO4/c1-13-4-6-14(7-5-13)18-12-26(2,3)34-23-17(18)8-15(9-19(23)27)24(31)30-16-10-20(28)22(25(32)33)21(29)11-16/h4-12H,1-3H3,(H,30,31)(H,32,33)
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n/an/an/a 1.5n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]ATRA binding to baculovirus expressed RAR alpha receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50471286
PNG
(CHEMBL82943)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C27H24FNO3/c1-16-4-6-17(7-5-16)20-12-13-27(2,3)23-11-8-18(14-22(20)23)25(30)29-19-9-10-21(26(31)32)24(28)15-19/h4-12,14-15H,13H2,1-3H3,(H,29,30)(H,31,32)
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n/an/an/a 863n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]ATRA binding to baculovirus expressed RAR gamma receptor


J Med Chem 40: 2445-51 (1997)


Article DOI: 10.1021/jm9703911
BindingDB Entry DOI: 10.7270/Q2M61NZ2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%