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Compile Data Set for Download or QSAR

Found 8 hits of ph data with Target = 'Retinoic acid receptor RXR-alpha'   
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 RXR-alpha


(Homo sapiens)
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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Article
PubMed
n/an/an/a 13n/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Binding assay using human retinoid X receptor alpha (RXR).


Chem Biol 5: 13-21 (1998)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q289146X
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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Article
PubMed
n/an/an/a 36n/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Binding assay using human retinoid X receptor alpha (RXR).


Chem Biol 5: 13-21 (1998)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q289146X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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Article
PubMed
n/an/an/a 7n/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Binding assay using human retinoid X receptor alpha (RXR).


Chem Biol 5: 13-21 (1998)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q289146X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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Article
PubMed
n/an/an/a 51n/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Binding assay using human retinoid X receptor alpha (RXR).


Chem Biol 5: 13-21 (1998)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q289146X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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Article
PubMed
n/an/an/a 42n/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Binding assay using human retinoid X receptor alpha (RXR).


Chem Biol 5: 13-21 (1998)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q289146X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens)
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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Article
PubMed
n/an/an/a 40n/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Binding assay using human retinoid X receptor alpha (RXR).


Chem Biol 5: 13-21 (1998)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q289146X
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
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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Article
PubMed
n/an/an/a 30n/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Binding assay using human retinoid X receptor alpha (RXR).


Chem Biol 5: 13-21 (1998)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q289146X
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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Article
PubMed
n/an/an/a 26n/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Binding assay using human retinoid X receptor alpha (RXR).


Chem Biol 5: 13-21 (1998)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q289146X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)