Found 48 hits of ec50 for monomerid = 50200182 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 |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 7.70 | n/a | n/a | n/a | n/a |
National Institute of Health Sciences
Curated by ChEMBL
| Assay Description Agonist activity at human VDR |
Bioorg Med Chem Lett 23: 4292-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.002 BindingDB Entry DOI: 10.7270/Q25B03XZ |
More data for this Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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Patents
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00900 BindingDB Entry DOI: 10.7270/Q27W6H5G |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Transactivation of GAL4-fused VDR ligand binding domain expressed in human HeLa cells after 16 hrs by luciferase reporter gene assay |
J Med Chem 55: 8440-9 (2012)
Article DOI: 10.1021/jm300858s BindingDB Entry DOI: 10.7270/Q2X63P3T |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 7.70 | n/a | n/a | n/a | n/a |
National Institute of Health Sciences
Curated by ChEMBL
| Assay Description Inhibition of human VDR-cofactor interaction by EnBio receptor cofactor assay system |
Bioorg Med Chem 23: 1055-61 (2015)
Article DOI: 10.1016/j.bmc.2015.01.007 BindingDB Entry DOI: 10.7270/Q25140WP |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 322 | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description Transactivation of VDR in human HaCaT cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 58: 7881-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00881 BindingDB Entry DOI: 10.7270/Q2VD7185 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 515 | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description Transactivation of VDR in human Caco2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 58: 7881-7 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00881 BindingDB Entry DOI: 10.7270/Q2VD7185 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a |
Rikkyo University
Curated by ChEMBL
| Assay Description Agonist activity at VDR in human HEK293 cells assessed as transcriptional activity after 16 to 24 hrs by luciferase reporter gene assay |
J Med Chem 58: 9510-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00792 BindingDB Entry DOI: 10.7270/Q22V2HZC |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
Rikkyo University
Curated by ChEMBL
| Assay Description Agonist activity at VDR (unknown origin) expressed in HEK293 cells cotransfected with RXRalpha assessed as RXRalpha recruitment by two-hybrid assay |
J Med Chem 58: 9510-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00792 BindingDB Entry DOI: 10.7270/Q22V2HZC |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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Patents
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Activity at VDR in rat ROS 17/2.8 cells assessed as transcriptional activation of 24-hydroxylase gene promoter after 16 hrs by luciferase reporter ge... |
Bioorg Med Chem 17: 1747-63 (2009)
Article DOI: 10.1016/j.bmc.2008.11.082 BindingDB Entry DOI: 10.7270/Q2MK6CRR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
BioXell
Curated by ChEMBL
| Assay Description Activation of VDR in human THP1 cells assessed as increase in 25-hydroxyvitamin D-24-hydroxylase mRNA expression by RT-PCR |
J Med Chem 52: 2204-13 (2009)
Article DOI: 10.1021/jm801365a BindingDB Entry DOI: 10.7270/Q2MS3SPR |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
BioXell
Curated by ChEMBL
| Assay Description Activation of VDR in human THP1 cells assessed as increase in cathelicidin antimicrobial peptide mRNA expression by RT-PCR |
J Med Chem 52: 2204-13 (2009)
Article DOI: 10.1021/jm801365a BindingDB Entry DOI: 10.7270/Q2MS3SPR |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Palacky University in Olomouc
Curated by ChEMBL
| Assay Description Agonist activity at VDR expressed in human HuH7 cells after 24 hrs by pDR3-luciferase reporter gene assay |
J Med Chem 59: 4601-10 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01891 BindingDB Entry DOI: 10.7270/Q2D220JZ |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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Patents
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Activity at rat recombinant full length VDR expressed in rat ROS 17/2.8 cells transfected with 24-hydroxylase gene promoter assessed as transcription... |
Bioorg Med Chem 16: 8563-73 (2008)
Article DOI: 10.1016/j.bmc.2008.08.011 BindingDB Entry DOI: 10.7270/Q20001X4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Activation of VDR in human Jurkat cells expressing lentiviral VDRE-luciferase vector assessed as VDRE-mediated transcriptional activity measured afte... |
J Med Chem 59: 5102-8 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00182 BindingDB Entry DOI: 10.7270/Q2QJ7K61 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 223 | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Activation of VDR in human Caco2 cells expressing lentiviral VDRE-luciferase vector assessed as VDRE-mediated transcriptional activity measured after... |
J Med Chem 59: 5102-8 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00182 BindingDB Entry DOI: 10.7270/Q2QJ7K61 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Activation of VDR in human HaCaT cells expressing lentiviral VDRE-luciferase vector assessed as VDRE-mediated transcriptional activity measured after... |
J Med Chem 59: 5102-8 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00182 BindingDB Entry DOI: 10.7270/Q2QJ7K61 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Bos taurus) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a |
Showa Pharmaceutical University
Curated by ChEMBL
| Assay Description Displacement of [3H]1,25-(OH)2D3 from bovine thymus vitamin D receptor |
J Med Chem 52: 1438-49 (2010)
Article DOI: 10.1021/jm8014348 BindingDB Entry DOI: 10.7270/Q2251J6N |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Activity at VDR in rat osteosarcoma cells assessed as induction of 24-hydroxylase reporter gene transcription by luciferase reporter gene assay |
Bioorg Med Chem 17: 7658-69 (2009)
Article DOI: 10.1016/j.bmc.2009.09.047 BindingDB Entry DOI: 10.7270/Q26T0MQM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a |
National Institute of Health Sciences
Curated by ChEMBL
| Assay Description Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati... |
Bioorg Med Chem Lett 21: 6104-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.047 BindingDB Entry DOI: 10.7270/Q29C6XTD |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Agonist activity at rat VDR in ROS 17/2.8 cells transfected with Cyp24a1 reporter plasmid assessed as increase in Cyp24a1 transcription after 16 hrs ... |
Bioorg Med Chem 19: 7205-20 (2011)
Article DOI: 10.1016/j.bmc.2011.09.048 BindingDB Entry DOI: 10.7270/Q2HM58WB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Transactivation of full length human VDR expressed in human HeLa cells assessed as increase in CYP24 transcription after 18 hrs by luciferase reporte... |
J Med Chem 55: 8440-9 (2012)
Article DOI: 10.1021/jm300858s BindingDB Entry DOI: 10.7270/Q2X63P3T |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 3.28 | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description Agonist activity at VDR in human MCF7 cells assessed as transcription of CYP24A1 gene after 24 hrs by luciferase reporter gene assay |
J Med Chem 55: 8642-56 (2012)
Article DOI: 10.1021/jm3008272 BindingDB Entry DOI: 10.7270/Q24Q7W49 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Activity at VDR in rat osteosarcoma cells assessed as 24-hydroxylase transcription by reporter gene assay |
J Med Chem 50: 6154-64 (2007)
Article DOI: 10.1021/jm070635+ BindingDB Entry DOI: 10.7270/Q2DB82PM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Displacement of 1-alpha,25-dihydroxyvitamin from rat recombinant VDR |
J Med Chem 50: 6154-64 (2007)
Article DOI: 10.1021/jm070635+ BindingDB Entry DOI: 10.7270/Q2DB82PM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vitamin D3 receptor
(Bos taurus) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | n/a | 0.0710 | n/a | n/a | n/a | n/a |
Tokyo Medical and Dental University
Curated by ChEMBL
| Assay Description Displacement of [3H]1,25-(OH)2D3 from vitamin D receptor in bovine thymus |
J Med Chem 50: 932-9 (2007)
Article DOI: 10.1021/jm060889f BindingDB Entry DOI: 10.7270/Q2Z320FX |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
Tokyo Medical and Dental University
Curated by ChEMBL
| Assay Description Induction of transactivation of human VDR responsive gene in COS7 cells by rat osteopontin luciferase reporter gene assay |
J Med Chem 50: 932-9 (2007)
Article DOI: 10.1021/jm060889f BindingDB Entry DOI: 10.7270/Q2Z320FX |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
Vidasym
Curated by ChEMBL
| Assay Description Agonist activity at VDR ligand binding domain (unknown origin) by reporter gene assay |
Bioorg Med Chem Lett 23: 5949-52 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.076 BindingDB Entry DOI: 10.7270/Q2K938Z0 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Agonist activity at CMX-GAL4 tagged human VDR expressed in HEK293 cells assessed as increase in transcriptional activity by luciferase reporter gene ... |
Bioorg Med Chem 21: 1643-51 (2013)
Article DOI: 10.1016/j.bmc.2013.01.060 BindingDB Entry DOI: 10.7270/Q2028SXZ |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 0.555 | n/a | n/a | n/a | n/a |
National Institute of Health Sciences
Curated by ChEMBL
| Assay Description Effect on VDR transcriptional activity in human osteosarcoma cells in presence of 5% fetal calf serum |
Bioorg Med Chem Lett 18: 120-3 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.007 BindingDB Entry DOI: 10.7270/Q2Q2414J |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 0.0106 | n/a | n/a | n/a | n/a |
National Institute of Health Sciences
Curated by ChEMBL
| Assay Description Effect on VDR transcriptional activity in human osteosarcoma cells |
Bioorg Med Chem Lett 18: 120-3 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.007 BindingDB Entry DOI: 10.7270/Q2Q2414J |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 3.52 | n/a | n/a | n/a | n/a |
National Institute of Health Sciences
Curated by ChEMBL
| Assay Description Effect on VDR transcriptional activity in human Caco-2 cells in presence of 5% fetal calf serum |
Bioorg Med Chem Lett 18: 120-3 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.007 BindingDB Entry DOI: 10.7270/Q2Q2414J |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Tokyo Medical and Dental University
Curated by ChEMBL
| Assay Description Agonist activity at human VDR in HEK293 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase r... |
Bioorg Med Chem 16: 457-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.017 BindingDB Entry DOI: 10.7270/Q2VD70BN |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Tokyo Medical and Dental University
Curated by ChEMBL
| Assay Description Displacement of [3H]1,25-(OH)2D3 from rat recombinant His-tagged VDR ligand-binding domain expressed in Escherichia coli BL21 |
Bioorg Med Chem 16: 457-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.017 BindingDB Entry DOI: 10.7270/Q2VD70BN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
Tokyo Medical and Dental University
Curated by ChEMBL
| Assay Description Agonist activity at human VDR in COS7 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase rep... |
Bioorg Med Chem 16: 457-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.017 BindingDB Entry DOI: 10.7270/Q2VD70BN |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
State Key Laboratory of Natural Medicines and Jiangsu Key Laboratory of Drug Discovery for Metabolic Diseases, Center of Drug Discovery , China Pharmaceutical University , 24 Tong Jia Xiang , Nanjing
Curated by ChEMBL
| Assay Description Agonist activity at VDR in human HL60 cells assessed as induction of cell differentiation after 96 hrs by NBT assay |
J Med Chem 61: 3059-3075 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00106 BindingDB Entry DOI: 10.7270/Q24F1T5W |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | n/a | >0.900 | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description Transactivation of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-SRC-1 and MH100(UAS) X 4tk-LUC reporter plasmid ass... |
J Med Chem 61: 6658-6673 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00427 BindingDB Entry DOI: 10.7270/Q2M04801 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description Transactivation of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-RXRalpha and MH100(UAS) X 4tk-LUC reporter plasmid ... |
J Med Chem 61: 6658-6673 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00427 BindingDB Entry DOI: 10.7270/Q2M04801 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
University of Santiago de Compostela
Curated by ChEMBL
| Assay Description Agonist activity at VDR in human MCF7 cells assessed as increase in transcription of CYP24A1 gene after 24 hrs by luciferase reporter gene assay |
J Med Chem 61: 4928-4937 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00337 BindingDB Entry DOI: 10.7270/Q22R3V8W |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor A
(Danio rerio) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a |
Centre National de la Recherche Scientifique
Curated by ChEMBL
| Assay Description Agonist activity at zebrafish gal4-VDR LBD expressed in human MCF7 cells by luciferase reporter gene based transactivation assay |
Medchemcomm 2: 424-429 (2011)
Article DOI: 10.1039/c1md00059d BindingDB Entry DOI: 10.7270/Q29W0JFT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Transactivation of recombinant human VDR/RXRalpha expressed in HEK293 cells after 24 hrs by Dual-luciferase reporter gene assay |
Eur J Med Chem 157: 1174-1191 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.085 BindingDB Entry DOI: 10.7270/Q2WH2SQJ |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ... |
Eur J Med Chem 107: 48-62 (2016)
Article DOI: 10.1016/j.ejmech.2015.10.042 BindingDB Entry DOI: 10.7270/Q2QN69S0 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | n/a | 0.0110 | n/a | n/a | n/a | n/a |
National Institute of Health Sciences
Curated by ChEMBL
| Assay Description Agonist activity at human VDR expressed in HOS cells co-expressing human RXR by Dual-Glo luciferase reporter gene assay |
Bioorg Med Chem 26: 6146-6152 (2018)
Article DOI: 10.1016/j.bmc.2018.11.008 BindingDB Entry DOI: 10.7270/Q25T3PWH |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Mus musculus) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Activation of VDR in mouse ASZ001 cells assessed as change in Cyp24A1 mRNA expression after 48 hrs by q-PCR analysis |
Eur J Med Chem 162: 495-506 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.028 BindingDB Entry DOI: 10.7270/Q2RN3C88 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at VDR in human HL-60 cells assessed as induction of cell differentiation of promyelocytes to monocytes after 4 days by NBT reductio... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01420 BindingDB Entry DOI: 10.7270/Q26D5XQ3 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human VDR expressed in African green monkey COS7 cells expressing mouse osteopontin VDRE assessed as induction of receptor transa... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01420 BindingDB Entry DOI: 10.7270/Q26D5XQ3 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human VDR expressed in HEK293 cells expressing mouse osteopontin VDRE assessed as induction of receptor transactivation incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01420 BindingDB Entry DOI: 10.7270/Q26D5XQ3 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
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| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human VDR |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01126 BindingDB Entry DOI: 10.7270/Q2DF6VVN |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
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Teikyo University
Curated by ChEMBL
| Assay Description Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 4: 671-4 (2013)
Article DOI: 10.1021/ml400098w BindingDB Entry DOI: 10.7270/Q2959JX8 |
More data for this Ligand-Target Pair | |