Found 45 hits for monomerid = 21674 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 6.71E+3 | n/a | n/a | 7.2 | 37 |
University di Perugia
| Assay Description For transient transfection assays to analyze TGR5 activity, Chinese hamster ovary (CHO) cells were transfected with hTGR5 expression plasmid, cAMP-re... |
J Med Chem 50: 4265-8 (2007)
Article DOI: 10.1021/jm070633p BindingDB Entry DOI: 10.7270/Q2JS9NQ6 |
More data for this Ligand-Target Pair | |
Bile acid receptor FXR
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
University of Naples "Federico II"
Curated by ChEMBL
| Assay Description Transactivation of human FXR (unknown origin) expressed in HepG2 cells co-expressing pSG5RXR/pGL4.70 after 24 hrs post transfection by luciferase rep... |
ACS Med Chem Lett 10: 407-412 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00423 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.70E+4 | n/a | n/a | 7.2 | 37 |
University of Tokyo
| Assay Description Compounds were screened for agonist/antagonist activity on FXR-GAL4 chimeric receptors in transiently transfected HEK-293 cells. The EC50/IC50 values... |
Bioorg Med Chem 15: 2587-600 (2007)
Article DOI: 10.1016/j.bmc.2007.01.046 BindingDB Entry DOI: 10.7270/Q21R6NSZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 8.30E+3 | n/a | n/a | 7.0 | 4 |
Merck Research Laboratories
| Assay Description To each well of a 96-well assay plate, assay buffer was added containing purified GST-FXR, Eu-labeled anti-GST antibody (Perkin-Elmer), streptavidin-... |
Proc Natl Acad Sci U S A 105: 5337-42 (2008)
Article DOI: 10.1073/pnas.0710981105 BindingDB Entry DOI: 10.7270/Q2QC01VJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a |
Goethe University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity at human FXR expressed in human HeLa cells assessed as receptor activation by BSEP promoter-driven firefly luciferase reporter gene ... |
J Med Chem 57: 8035-55 (2014)
Article DOI: 10.1021/jm500937v BindingDB Entry DOI: 10.7270/Q26H4K06 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a |
The Beckman Research Institute
Curated by ChEMBL
| Assay Description Agonist activity at human GPBAR1 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 30 mins by cAMP-Glo assay |
Bioorg Med Chem 23: 1613-28 (2015)
Article DOI: 10.1016/j.bmc.2015.01.048 BindingDB Entry DOI: 10.7270/Q2SF2XTX |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a |
Goethe University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity at human full length FXR expressed in HeLa cells cotransfected with pSG5-human RXR after 24 hrs by Dual-Glo luciferase reporter gene... |
Bioorg Med Chem 23: 3490-8 (2015)
Article DOI: 10.1016/j.bmc.2015.04.035 BindingDB Entry DOI: 10.7270/Q27M09PP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| PubMed
| n/a | n/a | n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description Antagonist activity against VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as inhibition of 1,25-dihydroxyvitamin D3-induce... |
Eur J Med Chem 109: 238-46 (2016)
BindingDB Entry DOI: 10.7270/Q21N82ZW |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description Antagonist activity against VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as inhibition of 1,25-dihydroxyvitamin D3-induce... |
Eur J Med Chem 109: 238-46 (2016)
BindingDB Entry DOI: 10.7270/Q21N82ZW |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
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| PubMed
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description Antagonist activity against VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as inhibition of 1,25-dihydroxyvitamin D3-induce... |
Eur J Med Chem 109: 238-46 (2016)
BindingDB Entry DOI: 10.7270/Q21N82ZW |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Patents
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| PubMed
| n/a | n/a | n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a |
University of Wisconsin
Curated by ChEMBL
| Assay Description Agonist activity at VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as SRC1 coactivator peptide recruitment after 16 hrs by ... |
Eur J Med Chem 109: 238-46 (2016)
BindingDB Entry DOI: 10.7270/Q21N82ZW |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB PubMed
| n/a | n/a | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a |
Max Planck Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description Agonist activity at farnesoid x receptor(unknown origin) |
Bioorg Med Chem 24: 3232-45 (2016)
BindingDB Entry DOI: 10.7270/Q2GF0WDK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB PubMed
| n/a | n/a | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a |
Beckman Research Institute
Curated by ChEMBL
| Assay Description Agonist activity at FXR (unknown origin) |
Bioorg Med Chem 24: 3986-3993 (2016)
BindingDB Entry DOI: 10.7270/Q2GH9KW7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Perugia
Curated by ChEMBL
| Assay Description Agonist activity at human GST-fused FXR LBD assessed as coactivator interaction with receptor ligand binding domain by Alphascreen assay |
Bioorg Med Chem 19: 2650-8 (2011)
Article DOI: 10.1016/j.bmc.2011.03.004 BindingDB Entry DOI: 10.7270/Q28W3DNP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Perugia
Curated by ChEMBL
| Assay Description Agonist activity at human TGR5 receptor expressed in NCI-H716 cells assessed as intracellular cAMP level by TR-FRET assay |
Bioorg Med Chem 19: 2650-8 (2011)
Article DOI: 10.1016/j.bmc.2011.03.004 BindingDB Entry DOI: 10.7270/Q28W3DNP |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Mus musculus) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.68E+4 | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Agonist activity at mouse FXR expressed in HEK293 cells co-expressing mouse RXRalpha and ECRE-luc by luciferase reporter gene assay |
Bioorg Med Chem 19: 7168-80 (2011)
Article DOI: 10.1016/j.bmc.2011.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Agonist activity at FXR |
Bioorg Med Chem 19: 6779-91 (2011)
Article DOI: 10.1016/j.bmc.2011.09.039 BindingDB Entry DOI: 10.7270/Q2KW5GFC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 8.66E+3 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for Farnesoid X Receptor (FXR) |
Bioorg Med Chem Lett 13: 1865-8 (2003)
BindingDB Entry DOI: 10.7270/Q2Q52Q5J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research& Development
Curated by ChEMBL
| Assay Description Ligand dependent recruitment of SRC1(676-700) peptide to human Farnesoid X-activated receptor by fluorescence resonance energy transfer assay |
J Med Chem 43: 2971-4 (2000)
BindingDB Entry DOI: 10.7270/Q2HQ40M3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 8.66E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Effective concentration against Farnesoid X receptor (FXR) |
J Med Chem 45: 3569-72 (2002)
BindingDB Entry DOI: 10.7270/Q25D8SKG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant FXR by transactivation of TK-MH100x4-LUC reporter gene in HEK293 cells |
Bioorg Med Chem Lett 16: 3213-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.075 BindingDB Entry DOI: 10.7270/Q2KD1ZPZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 8.66E+3 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity for human Farnesoid X receptor in FRET assay |
J Med Chem 47: 4559-69 (2004)
Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Effective concentration for recruitment of SRC-1 LxxLL-containing peptide to human Farnesoid X receptor |
J Med Chem 48: 5383-403 (2005)
Article DOI: 10.1021/jm0582221 BindingDB Entry DOI: 10.7270/Q2N29XQ6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Activation of human farnesoid X receptor; range is 10-30 |
J Med Chem 48: 5383-403 (2005)
Article DOI: 10.1021/jm0582221 BindingDB Entry DOI: 10.7270/Q2N29XQ6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | n/a | 8.66E+3 | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Binding affinity to FXR assessed as ligand-dependent SRC1 recruitment by FRET based co-activator assay |
J Med Chem 49: 4208-15 (2006)
Article DOI: 10.1021/jm060294k BindingDB Entry DOI: 10.7270/Q23779H2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Perugia
Curated by ChEMBL
| Assay Description Agonist activity at wild type TGR5 (unknown origin) |
ACS Med Chem Lett 4: 1158-62 (2013)
Article DOI: 10.1021/ml400247k BindingDB Entry DOI: 10.7270/Q26111SX |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a |
Universita di Perugia
Curated by ChEMBL
| Assay Description Agonist activity at FXR expressed in COS1 cells by cell-based bioluminescence assay |
J Med Chem 52: 7958-61 (2009)
Article DOI: 10.1021/jm901390p BindingDB Entry DOI: 10.7270/Q2TM7C1X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Agonist activity at human FXR expressed in COS1 cells by luciferase assay |
J Med Chem 51: 1831-41 (2008)
Article DOI: 10.1021/jm7015864 BindingDB Entry DOI: 10.7270/Q2222VNJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 6.71E+3 | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Agonist activity at human TGR5 expressed in CHO cells by luciferase assay |
J Med Chem 51: 1831-41 (2008)
Article DOI: 10.1021/jm7015864 BindingDB Entry DOI: 10.7270/Q2222VNJ |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a |
Graduate School of the Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Agonist activity at FXR assessed as activation by cell based luciferase transactivation assay |
Bioorg Med Chem Lett 18: 5497-502 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.027 BindingDB Entry DOI: 10.7270/Q2R2129C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
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Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity at GST-tagged FXR-LBD using biotinylated-SRC-1 peptide as substrate preincubated with compound for 30 mins measured after 4 hrs |
ACS Med Chem Lett 3: 273-277 (2012)
Article DOI: 10.1021/ml200256d BindingDB Entry DOI: 10.7270/Q27D2W7K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity at TGR5 expressed in NCI-H716 cells assessed as cAMP level after 60 mins by FRET analysis |
ACS Med Chem Lett 3: 273-277 (2012)
Article DOI: 10.1021/ml200256d BindingDB Entry DOI: 10.7270/Q27D2W7K |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant FXR expressed in HEK293 cells coexpressing CMX-GAL4N by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 3962-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.099 BindingDB Entry DOI: 10.7270/Q25X29X2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB US Patent
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
ENANTA PHARMACEUTICALS, INC.
US Patent
| Assay Description The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Repor... |
US Patent US10144729 (2018)
BindingDB Entry DOI: 10.7270/Q29P33Q3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB US Patent
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
ENANTA PHARMACEUTICALS, INC.
US Patent
| Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit... |
US Patent US10138228 (2018)
BindingDB Entry DOI: 10.7270/Q2H99788 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
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| DrugBank PDB US Patent
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Elmore Patent Law Group, P.C.
US Patent
| Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit... |
US Patent US10149835 (2018)
BindingDB Entry DOI: 10.7270/Q2DF6T8M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile salt export pump
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-... |
Hepatology 60: 1015-22 (2014)
Article DOI: 10.1002/hep.27206 BindingDB Entry DOI: 10.7270/Q2TF00N2 |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
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| DrugBank PDB US Patent
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Enanta Pharmaceuticals, Inc.
US Patent
| Assay Description The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k... |
US Patent US10208081 (2019)
BindingDB Entry DOI: 10.7270/Q2PV6NH9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity at FXR (unknown origin) assessed as recruitment of SRC1 peptide to FXR by FRET assay |
J Med Chem 60: 5235-5266 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01287 BindingDB Entry DOI: 10.7270/Q2T43WDQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 8.66E+3 | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co. Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human FXR assessed as recruitment of SRC1 peptide by TR-FRET assay |
ACS Med Chem Lett 8: 1246-1251 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00318 BindingDB Entry DOI: 10.7270/Q2XW4NBT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor FXR
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment after 30 mins by Alpha Screen assay |
Eur J Med Chem 144: 349-358 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.034 BindingDB Entry DOI: 10.7270/Q2R213XV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.56E+4 | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human TGR5 expressed in CHO cells assessed as increase in cAMP accumulation after 30 mins by TR-FRET assay |
J Med Chem 62: 6824-6830 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00770 |
More data for this Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Agonist activity at TGR5 in human NCI-H716 cells assessed as increase in cAMP accumulation after 60 mins by HTR-FRET assay |
J Med Chem 62: 6824-6830 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00770 |
More data for this Ligand-Target Pair | |
Bile acid receptor FXR
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 8.66E+3 | n/a | n/a | n/a | n/a |
Terns Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at FXR (unknown origin) |
J Med Chem 63: 5031-5073 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01701 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM21674
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.30E+4 | n/a | n/a | 7.2 | 37 |
University di Perugia
| Assay Description To evaluate FXR activity of compounds, COS1 (ATCC) cells were transfected with hFXR expression plasmid, mouse retinoid X receptor expression plasmid,... |
J Med Chem 50: 4265-8 (2007)
Article DOI: 10.1021/jm070633p BindingDB Entry DOI: 10.7270/Q2JS9NQ6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |