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Compile Data Set for Download or QSAR

Found 15 hits of kd for UniProtKB: P28702   
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
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
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 11n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50101444
PNG
((E)-3-Methyl-5-[2-methyl-2-(5,5,8,8-tetramethyl-5,...)
Show SMILES C\C(\C=C\C1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+
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n/an/an/a>1.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
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]-9-cis RA binding to Retinoid X receptor RXR beta


Bioorg Med Chem Lett 9: 589-94 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50075366
PNG
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)
Show SMILES C\C(\C=C\c1ccccc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:13|
Show InChI InChI=1S/C23H28O2/c1-17(16-22(24)25)11-12-19-9-5-6-10-20(19)13-14-21-18(2)8-7-15-23(21,3)4/h5-6,9-14,16H,7-8,15H2,1-4H3,(H,24,25)/b12-11+,14-13+,17-16+
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n/an/an/a 53n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR beta


Bioorg Med Chem Lett 9: 589-94 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RQ5
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50075367
PNG
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)
Show SMILES C\C(\C=C\c1ccoc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:12|
Show InChI InChI=1S/C21H26O3/c1-15(14-20(22)23)7-8-17-11-13-24-19(17)10-9-18-16(2)6-5-12-21(18,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,23)/b8-7+,10-9+,15-14+
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n/an/an/a 15n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR beta


Bioorg Med Chem Lett 9: 589-94 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RQ5
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50101444
PNG
((E)-3-Methyl-5-[2-methyl-2-(5,5,8,8-tetramethyl-5,...)
Show SMILES C\C(\C=C\C1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+
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n/an/an/a 2.5n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-beta


J Med Chem 44: 2298-303 (2001)


BindingDB Entry DOI: 10.7270/Q2P84B41
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
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 35n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-beta


J Med Chem 44: 2298-303 (2001)


BindingDB Entry DOI: 10.7270/Q2P84B41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50101446
PNG
((2E,4E)-3-Methyl-5-[(1R,2R)-2-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m0/s1
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n/an/an/a 210n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-beta


J Med Chem 44: 2298-303 (2001)


BindingDB Entry DOI: 10.7270/Q2P84B41
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50101445
PNG
((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1
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n/an/an/a 3.60n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-beta


J Med Chem 44: 2298-303 (2001)


BindingDB Entry DOI: 10.7270/Q2P84B41
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 |c:4|
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>1.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50403584
PNG
(CHEMBL2111534)
Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C\C(O)=O
Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12-
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n/an/an/a>1.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50403583
PNG
(CHEMBL2111535)
Show SMILES C\C(\C=C\C1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13-
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n/an/an/a>1.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50101444
PNG
((E)-3-Methyl-5-[2-methyl-2-(5,5,8,8-tetramethyl-5,...)
Show SMILES C\C(\C=C\C1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+
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n/an/an/a 2.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50287964
PNG
((E)-3-Methyl-5-[2-methyl-2-(3,5,5,8,8-pentamethyl-...)
Show SMILES C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-16(12-22(26)27)8-9-18-15-25(18,7)19-14-21-20(13-17(19)2)23(3,4)10-11-24(21,5)6/h8-9,12-14,18H,10-11,15H2,1-7H3,(H,26,27)/b9-8+,16-12+
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n/an/an/a 56n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor


Bioorg Med Chem Lett 6: 213-218 (1996)


Article DOI: 10.1016/0960-894X(95)00588-K
BindingDB Entry DOI: 10.7270/Q2BC3ZHZ
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 |c:4|
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>0.00100n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR beta


Bioorg Med Chem Lett 9: 589-94 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RQ5
More data for this
Ligand-Target Pair