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PubMed code 8759622

Compile data set for download or QSAR
Found 15 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoid receptor


(Homo sapiens (Human))
BDBM50052412
PNG
(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H22BrF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
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n/an/an/a>3.00E+4n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gamma


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
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/a 1.36E+3n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR beta


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/a 36n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alpha


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50052413
PNG
(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H23BrFNO4/c1-21(2)7-8-22(3,4)16-14(21)10-13(18(26)17(16)23)19(27)25-11-5-6-12(20(28)29)15(24)9-11/h5-6,9-10,26H,7-8H2,1-4H3,(H,25,27)(H,28,29)
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n/an/an/a 4.40n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alpha


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
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/a 13n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR beta


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052413
PNG
(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H23BrFNO4/c1-21(2)7-8-22(3,4)16-14(21)10-13(18(26)17(16)23)19(27)25-11-5-6-12(20(28)29)15(24)9-11/h5-6,9-10,26H,7-8H2,1-4H3,(H,25,27)(H,28,29)
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n/an/an/a>3.00E+4n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gamma


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50045268
PNG
(4-[(Z)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
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n/an/an/a 5n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR beta


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052413
PNG
(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H23BrFNO4/c1-21(2)7-8-22(3,4)16-14(21)10-13(18(26)17(16)23)19(27)25-11-5-6-12(20(28)29)15(24)9-11/h5-6,9-10,26H,7-8H2,1-4H3,(H,25,27)(H,28,29)
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n/an/an/a 3.04E+3n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR beta


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
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/a 15n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alpha


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
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/a 18n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gamma


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50045268
PNG
(4-[(Z)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
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n/an/an/a 26n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gamma


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50045268
PNG
(4-[(Z)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
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n/an/an/a 72n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alpha


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50052412
PNG
(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H22BrF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
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n/an/an/a 8.40n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alpha


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052412
PNG
(4-[(4-Bromo-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H22BrF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
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n/an/an/a 1.74E+4n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR beta


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
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/a 3.82E+3n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gamma


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%