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PDB code 3LBD

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 41 hits 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
Retinoic acid receptor beta

  (212/246 = 86%)
(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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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards cRARbeta2 receptor by displacing 1.1 nM 3[H]-9-cis-RA


Bioorg Med Chem Lett 7: 2313-2318 (1997)


Article DOI: 10.1016/S0960-894X(97)00420-4
BindingDB Entry DOI: 10.7270/Q2Z89CDD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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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0.700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards cRARbeta2 receptor by displacing 1.1 nM 3[H]-9-cis-RA


Bioorg Med Chem Lett 7: 2313-2318 (1997)


Article DOI: 10.1016/S0960-894X(97)00420-4
BindingDB Entry DOI: 10.7270/Q2Z89CDD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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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1n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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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11n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to Retinoic acid receptor RAR beta


J Med Chem 39: 2659-63 (1996)


Article DOI: 10.1021/jm960285j
BindingDB Entry DOI: 10.7270/Q2988631
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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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20n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to Retinoic acid receptor RAR gamma


J Med Chem 39: 2659-63 (1996)


Article DOI: 10.1021/jm960285j
BindingDB Entry DOI: 10.7270/Q2988631
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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/a 7n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay


J Med Chem 37: 408-14 (1994)


BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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/a 17n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid gamma receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay


J Med Chem 37: 408-14 (1994)


BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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/an/a 22n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against Retinoic acid receptor beta


J Med Chem 36: 2605-13 (1993)


BindingDB Entry DOI: 10.7270/Q21R6PKP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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/an/a 12n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against RAR-gamma receptor


J Med Chem 36: 2605-13 (1993)


BindingDB Entry DOI: 10.7270/Q21R6PKP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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/an/a 52n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR beta


J Med Chem 39: 2659-63 (1996)


Article DOI: 10.1021/jm960285j
BindingDB Entry DOI: 10.7270/Q2988631
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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/an/a 50n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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/an/a 45n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(Mus musculus)
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 7n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor beta


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(Mus musculus)
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 17n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


J Med Chem 39: 3556-63 (1996)


Article DOI: 10.1021/jm960386h
BindingDB Entry DOI: 10.7270/Q2959GNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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 148n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR gamma


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)
Retinoic acid receptor beta

  (212/246 = 86%)
(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 97n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR 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)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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/an/a 6n/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 42: 4961-9 (2000)


BindingDB Entry DOI: 10.7270/Q24F1PX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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/an/a 3.30n/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 42: 4961-9 (2000)


BindingDB Entry DOI: 10.7270/Q24F1PX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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 100n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to baculovirus expressed retinoic acid receptor RAR-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)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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/an/a 4n/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR gamma


J Med Chem 44: 2298-303 (2001)


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

  (212/246 = 86%)
(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/an/a 3n/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR 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)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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 150n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


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


J Med Chem 44: 2298-303 (2001)


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

  (246/246 = 100%)
(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/an/a 50n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expresing human Retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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 0.800n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Dissociation constant for Retinoic acid receptor gamma


J Med Chem 48: 6212-9 (2005)


Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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 22n/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
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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/an/a 3.30n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation for RAR beta receptor


Bioorg Med Chem Lett 4: 1447-1452 (1994)


Article DOI: 10.1016/S0960-894X(01)80511-4
BindingDB Entry DOI: 10.7270/Q2B8582K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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/an/a 6n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation for RAR gamma receptor


Bioorg Med Chem Lett 4: 1447-1452 (1994)


Article DOI: 10.1016/S0960-894X(01)80511-4
BindingDB Entry DOI: 10.7270/Q2B8582K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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/an/a 50n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity for retinoic acid receptor RAR beta in transcriptional activation assay


Bioorg Med Chem Lett 5: 2729-2734 (1995)


Article DOI: 10.1016/0960-894X(95)00455-3
BindingDB Entry DOI: 10.7270/Q22N527N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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/an/a 45n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity for retinoic acid receptor RAR gamma in transcriptional activation assay


Bioorg Med Chem Lett 5: 2729-2734 (1995)


Article DOI: 10.1016/0960-894X(95)00455-3
BindingDB Entry DOI: 10.7270/Q22N527N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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 97n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expresing human Retinoic acid receptor RAR alpha


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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 148n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expresing human Retinoid X receptor RXR-alpha


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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 7n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor alpha using transactivatio...


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)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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/an/a 45n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoid X receptor alpha using transactivation a...


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)
Retinoic acid receptor beta

  (212/246 = 86%)
(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/an/a 50n/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid beta receptors cotransfected into CV-1 cells


J Med Chem 37: 408-14 (1994)


BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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/an/a 6n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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/an/a 3.30n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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/an/a 74n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR gamma


J Med Chem 39: 2659-63 (1996)


Article DOI: 10.1021/jm960285j
BindingDB Entry DOI: 10.7270/Q2988631
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma

  (246/246 = 100%)
(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/an/a 45n/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic Acid gamma receptors cotransfected into CV-1 cells


J Med Chem 37: 408-14 (1994)


BindingDB Entry DOI: 10.7270/Q20V8BT5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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/an/a 29n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expresing human Retinoic acid receptor RAR beta


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma [183-417]

  (235/235 = 100%)
(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 0.800n/an/an/a7.94



CNRS



Assay Description
Recombinant RAR protein expressed in E. coli was used in the direct binding assay. The apparent dissociation constants (Kd) were determined by the ch...


J Mol Biol 302: 155-70 (2000)


Article DOI: 10.1006/jmbi.2000.4032
BindingDB Entry DOI: 10.7270/Q2BR8QHR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor beta

  (212/246 = 86%)
(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/an/a 50n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor beta using transactivation...


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)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output