Found 9 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50129720' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129720
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Binding affinity against RXR alpha receptor using [3H]-9-cis-RA as radioligand in CV-1 cells |
Bioorg Med Chem Lett 13: 4071-5 (2003)
BindingDB Entry DOI: 10.7270/Q2V987GP |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129720
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(RAT) | BDBM50129720
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11- | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA |
J Med Chem 46: 4087-103 (2003)
Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129720
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
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| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50129720
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Binding affinity against Retinoic acid receptor RXR-alpha by [3H]-9-cis-RA displacement. |
Bioorg Med Chem Lett 14: 1593-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.089 BindingDB Entry DOI: 10.7270/Q2B857JF |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(RAT) | BDBM50129720
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11- | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description In vitro transcriptional activation in CV-1 cells expressing RXR-alpha |
J Med Chem 46: 4087-103 (2003)
Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129720
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50129720
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <8 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Binding affinity against Retinoic acid receptor RXR-alpha by [3H]-9-cis-RA displacement. |
Bioorg Med Chem Lett 14: 1593-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.089 BindingDB Entry DOI: 10.7270/Q2B857JF |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129720
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Antagonist activity for Retinoic X receptor alpha in CV1 cells |
Bioorg Med Chem Lett 14: 1593-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.089 BindingDB Entry DOI: 10.7270/Q2B857JF |
More data for this Ligand-Target Pair | |