BindingDB BDBM50200182 (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol::(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol::(1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol::(5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol::1,25-DHCC::1alpha,25(OH)2D3::1alpha,25-dihydroxycholecalciferol::1alpha,25-dihydroxyvitamin D3::CALCITRIOL::CHEMBL846

BDBM50200182 (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol::(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol::(1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol::(5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol::1,25-DHCC::1alpha,25(OH)2D3::1alpha,25-dihydroxycholecalciferol::1alpha,25-dihydroxyvitamin D3::CALCITRIOL::CHEMBL846

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

InChI Key InChIKey=GMRQFYUYWCNGIN-NKMMMXOESA-N

Data 12 KI 25 IC50 4 Kd 48 EC50

PDB links: 19 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50200182

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

Ki: 0.0400nMAssay Description:Displacement of [3H]1alpha,25-(OH)2D3 from full-length recombinant rat VDR by scintillation counterMore data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

Ki: 0.0500nMAssay Description:Displacement of [3H]1alpha,25-(OH)2D3 from rat recombinant full length VDRMore data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

Ki: 0.100nMAssay Description:Displacement of [3H]1alpha,25-(OH)2D3 from rat recombinant full length VDRMore data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

Ki: 0.100nMAssay Description:Displacement of [3H]-1alpha,25(OH)2D3 from recombinant rat VDR after overnight incubation by scintillation countingMore data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

Ki: 0.100nMAssay Description:Displacement of [3H]-1alpha25-(OH)2D3 from full length recombinant rat vitamin D receptor by scintillation counting analysisMore data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

Ki: 0.100nMAssay Description:Displacement of [3H]1alpha,25-(OH)2D3 from rat recombinant full length VDRMore data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

Ki: 0.100nMAssay Description:Displacement of [3H]1alpha,25-(OH)2D3 from rat recombinant full length VDRMore data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

Ki: 0.100nMAssay Description:Displacement of radiolabeled 1alpha,25-(OH)2D3 from rat recombinant full length VDRMore data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

Ki: 0.100nMAssay Description:Displacement of radiolabelled 1alpha, 25-(OH)2D3 from recombinant rat VDRMore data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

Ki: 0.100nMAssay Description:Displacement of [3H]-1alpha,25(OH)2D3 from recombinant rat VDR by scintillation countingMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

Ki: 0.200nMAssay 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...More data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

EC50: 0.200nMAssay 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...More data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

EC50: 0.200nMAssay 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...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

EC50: 0.300nMAssay Description:Activity at VDR in rat osteosarcoma cells assessed as induction of 24-hydroxylase reporter gene transcription by luciferase reporter gene assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

EC50: 0.200nMAssay 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 ...More data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

EC50: 0.200nMAssay Description:Activity at VDR in rat osteosarcoma cells assessed as 24-hydroxylase transcription by reporter gene assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

EC50: 0.0500nMAssay Description:Displacement of 1-alpha,25-dihydroxyvitamin from rat recombinant VDRMore data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor(Rattus norvegicus)
University Of Wisconsin-Madison

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

EC50: 0.100nMAssay Description:Displacement of [3H]1,25-(OH)2D3 from rat recombinant His-tagged VDR ligand-binding domain expressed in Escherichia coli BL21More data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor A(Danio rerio)
Centre National De La Recherche Scientifique

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

EC50: 5.5nMAssay Description:Agonist activity at zebrafish gal4-VDR LBD expressed in human MCF7 cells by luciferase reporter gene based transactivation assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Vitamin D3 receptor A(Danio rerio)
Centre National De La Recherche Scientifique

Curated by ChEMBL

PNG

BDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)

Kd: 1.20E+3nMAssay Description:Binding affinity to zebrafish VDR LBD assessed as Kd for fluorescein-labeled SRC1 NR2 peptide binding by micro-scale thermophoresis methodMore data for this Ligand-Target Pair

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3D Structure (crystal)

Filter my 89 hits

Targets 10▿
- Vitamin D3 receptor 79
- Vitamin D3 receptor A 2
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- Retinoic acid receptor RXR-alpha/Vitamin D3 receptor 1
- Vitamin D-binding protein 1
- ATP-binding cassette sub-family C member 2 1
- 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial 1
- Androgen receptor 1
- Bile salt export pump 1
Publications 50▿
- J Med Chem 58: 9510-21 (2015) 4
- Toxicol Sci 136: 216-41 (2013) 4
- J Med Chem 64: 516-526 (2021) 4
- J Med Chem 61: 6658-6673 (2018) 3
- J Med Chem 59: 5102-8 (2016) 3
- Bioorg Med Chem Lett 18: 120-3 (2008) 3
- Bioorg Med Chem 16: 457-73 (2008) 3
- Eur J Med Chem 157: 1174-1191 (2018) 3
- J Med Chem 50: 6154-64 (2007) 2
- J Med Chem 53: 8642-9 (2010) 2
- J Med Chem 55: 8642-56 (2012) 2
- Bioorg Med Chem 19: 7205-20 (2011) 2
- J Med Chem 50: 932-9 (2007) 2
- J Med Chem 58: 7881-7 (2015) 2
- J Med Chem 55: 8440-9 (2012) 2
- J Med Chem 52: 6158-62 (2009) 2
- J Med Chem 52: 2204-13 (2009) 2
- Bioorg Med Chem 17: 7658-69 (2009) 2
- J Med Chem 61: 3059-3075 (2018) 2
- Bioorg Med Chem 16: 8563-73 (2008) 2
- Bioorg Med Chem 17: 1747-63 (2009) 2
- J Med Chem 61: 4928-4937 (2018) 2
- Bioorg Med Chem 21: 1643-51 (2013) 2
- J Med Chem 65: 13112-13124 (2022) 2
- Bioorg Med Chem Lett 23: 5949-52 (2013) 2
- Eur J Med Chem 107: 48-62 (2016) 2
- J Med Chem 55: 4352-66 (2012) 1
- Eur J Med Chem 162: 495-506 (2019) 1
- J Med Chem 59: 4601-10 (2016) 1
- Bioorg Med Chem 26: 6146-6152 (2018) 1
- J Med Chem 58: 6237-47 (2015) 1
- Bioorg Med Chem 23: 7274-81 (2015) 1
- Bioorg Med Chem Lett 21: 6104-7 (2011) 1
- Eur J Med Chem 157: 791-804 (2018) 1
- J Med Chem 61: 6339-6349 (2018) 1
- J Med Chem 49: 7513-7 (2006) 1
- J Med Chem 44: 281-97 (2001) 1
- ACS Med Chem Lett 4: 671-4 (2013) 1
- Bioorg Med Chem 23: 1055-61 (2015) 1
- J Med Chem 50: 5824-32 (2007) 1
- J Med Chem 60: 8394-8406 (2017) 1
- J Med Chem 54: 6832-42 (2011) 1
- Bioorg Med Chem 18: 4119-37 (2010) 1
- J Med Chem 58: 9731-41 (2015) 1
- J Med Chem 52: 3496-504 (2009) 1
- J Med Chem 52: 1438-49 (2010) 1
- Bioorg Med Chem Lett 23: 4292-6 (2013) 1
- Bioorg Med Chem Lett 3: 1845-1848 (1993) 1
- J Med Chem 57: 4351-67 (2014) 1
- J Med Chem 63: 9457-9463 (2020) 1
- ...
Institutions 28▿
- University Of Wisconsin-Madison 15
- National Institute Of Health Sciences 7
- China Pharmaceutical University 7
- Universidad De Santiago De Compostela 5
- Showa Pharmaceutical University 5
- Tokyo Medical And Dental University 5
- Ochanomizu University 4
- Amgen 4
- University Of Santiago De Compostela 4
- Rikkyo University 4
- University Of Tennessee Health Science Center 3
- The University Of Tokyo 2
- University Of Warsaw 2
- Vidasym 2
- Veterans Affairs Medical Center 2
- Bioxell 2
- Universidad De Oviedo 2
- Institute Of Genetics And Molecular And Cellular Biology (Igbmc) 2
- TBA 1
- Marquette University 1
- Teikyo University 1
- Institut De G£N£Tique Et De Biologie Mol£Culaire Et Cellulaire (Igbmc) 1
- Allergan 1
- University Of Connecticut 1
- The University Of Texas 1
- Mcgill University 1
- The Johns Hopkins University 1
- Palacky University In Olomouc 1
- ...
Affinity: 0.010 to 1.3E+5 nM▿
- Ki 12
- IC50 25
- Kd 4
- EC50 48
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1