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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50129728'   
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 (Human))
BDBM50129728
PNG
((2E,4E,6Z)-7-(3,5-Di-tert-butyl-2-ethoxy-phenyl)-3...)
Show SMILES CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C25H36O3/c1-10-28-23-20(18(3)13-11-12-17(2)14-22(26)27)15-19(24(4,5)6)16-21(23)25(7,8)9/h11-16H,10H2,1-9H3,(H,26,27)/b12-11+,17-14+,18-13-
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11n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity against Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand


J Med Chem 46: 2683-96 (2003)


Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50129728
PNG
((2E,4E,6Z)-7-(3,5-Di-tert-butyl-2-ethoxy-phenyl)-3...)
Show SMILES CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C25H36O3/c1-10-28-23-20(18(3)13-11-12-17(2)14-22(26)27)15-19(24(4,5)6)16-21(23)25(7,8)9/h11-16H,10H2,1-9H3,(H,26,27)/b12-11+,17-14+,18-13-
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11n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 3[H]-9-cis-retinoic acid binding to Retinoic acid receptor RXR-alpha expressed in CV-1 cells


Bioorg Med Chem Lett 13: 3191-5 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50129728
PNG
((2E,4E,6Z)-7-(3,5-Di-tert-butyl-2-ethoxy-phenyl)-3...)
Show SMILES CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C25H36O3/c1-10-28-23-20(18(3)13-11-12-17(2)14-22(26)27)15-19(24(4,5)6)16-21(23)25(7,8)9/h11-16H,10H2,1-9H3,(H,26,27)/b12-11+,17-14+,18-13-
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PubMed
n/an/a 8n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Retinoic acid receptor RXR-alpha antagonist was determined in vitro


J Med Chem 46: 2683-96 (2003)


Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50129728
PNG
((2E,4E,6Z)-7-(3,5-Di-tert-butyl-2-ethoxy-phenyl)-3...)
Show SMILES CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C25H36O3/c1-10-28-23-20(18(3)13-11-12-17(2)14-22(26)27)15-19(24(4,5)6)16-21(23)25(7,8)9/h11-16H,10H2,1-9H3,(H,26,27)/b12-11+,17-14+,18-13-
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n/an/an/an/a 6.40n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Synergistic activation of BRL49653 mediated PPAR gamma and retinoid X receptor alpha expressed in CV-1 cell transcriptional activation assay


Bioorg Med Chem Lett 13: 3191-5 (2003)


BindingDB Entry DOI: 10.7270/Q2736Q9T
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50129728
PNG
((2E,4E,6Z)-7-(3,5-Di-tert-butyl-2-ethoxy-phenyl)-3...)
Show SMILES CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C25H36O3/c1-10-28-23-20(18(3)13-11-12-17(2)14-22(26)27)15-19(24(4,5)6)16-21(23)25(7,8)9/h11-16H,10H2,1-9H3,(H,26,27)/b12-11+,17-14+,18-13-
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Article
PubMed
n/an/an/an/a 18n/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Retinoic acid receptor RXR-alpha agonist activity in vitro


J Med Chem 46: 2683-96 (2003)


Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3
More data for this
Ligand-Target Pair