1,25-dihydroxyvitamin D3 [Ligand Id: 2779] activity data from GtoPdb and ChEMBL

Click here for a description of the charts and data table

Please tell us if you are using this feature and what you think!

ChEMBL ligand: CHEMBL846 (Rocaltrol, Dihydroxyvitamin D 3, Ro-215535, 1alpha,25-dihydroxycholecalciferol, 1alpha,25-dihydroxyvitamin D3, RO-21-5535, Calcijex, Topitriol, Calcitriol, Silkis, Dihydroxycholecalciferol, Vectical)
  • Androgen receptor/Androgen Receptor in Human [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
There should be some charts here, you may need to enable JavaScript!
  • Vitamin D receptor/Retinoid X receptor-α/Retinoic acid receptor RXR-alpha/Vitamin D3 receptor in Human [ChEMBL: CHEMBL3885632] [GtoPdb: 605610] [UniProtKB: P11473P19793]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Androgen receptor/Androgen Receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
ChEMBL Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-galactosidase reporter gene assay B 5 pIC50 >10000 nM IC50 Bioorg. Med. Chem. (2013) 21: 1643-1651 [PMID:23462715]
Vitamin D receptor/Retinoid X receptor-α/Retinoic acid receptor RXR-alpha/Vitamin D3 receptor in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3885632] [GtoPdb: 605610] [UniProtKB: P11473P19793]
GtoPdb - - 9.2 pKd - - - J. Bone Miner. Res. (1994) 9: 1277-88 [PMID:7976510];
Mol. Endocrinol. (2002) 16: 1524-37 [PMID:12089348]
ChEMBL Transactivation of recombinant human VDR/RXRalpha expressed in HEK293 cells after 24 hrs by Dual-luciferase reporter gene assay B 8.8 pEC50 1.58 nM EC50 Eur J Med Chem (2018) 157: 1174-1191 [PMID:30193216]
Vitamin D3 receptor in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5304] [UniProtKB: A3RGC1]
ChEMBL Displacement of [3H]1-alpha,25-(OH)2D3 from VDR in pig intestinal mucosa B 10.15 pKd 0.07 nM Kd J. Med. Chem. (2009) 52: 6158-6162 [PMID:19739672]
Vitamin D3 receptor A in Danio rerio (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3217399] [UniProtKB: Q9PTN2]
ChEMBL Agonist activity at zebrafish gal4-VDR LBD expressed in human MCF7 cells by luciferase reporter gene based transactivation assay B 8.26 pEC50 5.5 nM EC50 MedChemComm (2011) 2: 424-429 [PMID:22180837]
Vitamin D-binding protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2259] [UniProtKB: P02774]
ChEMBL Binding affinity to human vitamin D binding protein B 7.62 pKd 24 nM Kd J. Med. Chem. (2009) 52: 6158-6162 [PMID:19739672]
Vitamin D receptor in Chicken (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2353] [UniProtKB: O42392]
ChEMBL Displacement from vitamin D receptor in chick intestine: 50% displacement B 10.6 pKi 0.03 nM Ki Bioorg. Med. Chem. Lett. (1993) 3: 1845-1848
Vitamin D receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1977] [GtoPdb: 605] [UniProtKB: P11473]
GtoPdb - - 9.2 pKd - - - J. Bone Miner. Res. (1994) 9: 1277-88 [PMID:7976510];
Mol. Endocrinol. (2002) 16: 1524-37 [PMID:12089348]
ChEMBL Binding affinity to VDR receptor B 10.19 pKd 0.07 nM Kd J. Med. Chem. (2001) 44: 281-297 [PMID:11462969]
ChEMBL Binding affinity to VDR in scrambled siRNA-transfected human MCF7 cells assessed as cell growth inhibition by measuring reduction in BrdU incorporation after 16 hrs by ELISA B 5.19 pIC50 6430 nM IC50 Eur J Med Chem (2018) 157: 1174-1191 [PMID:30193216]
ChEMBL Binding affinity to VDR ligand binding domain by fluorescence polarization competition assay B 7.89 pIC50 13 nM IC50 Bioorg. Med. Chem. (2010) 18: 4119-4137 [PMID:20452225]
ChEMBL Binding affinity to VDR (unknown origin) B 8.03 pIC50 9.3 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 5949-5952 [PMID:24035340]
ChEMBL Displacement of fluormone VDR red from human full-length VDR after 4 hrs by fluorescence polarization assay B 8.85 pIC50 1.42 nM IC50 Eur J Med Chem (2018) 157: 1174-1191 [PMID:30193216]
ChEMBL Displacement of fluormone from human full length VDR after 2 hrs by fluorescence polarization assay B 8.89 pIC50 1.3 nM IC50 J Med Chem (2018) 61: 4928-4937 [PMID:29733645]
ChEMBL Binding affinity to VDR assessed as inhibition of fluorescent ligand by fluorescence polarization competition assay B 8.91 pIC50 1.24 nM IC50 J. Med. Chem. (2012) 55: 8642-8656 [PMID:22989379]
ChEMBL Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay B 8.95 pIC50 1.13 nM IC50 Eur. J. Med. Chem. (2016) 107: 48-62 [PMID:26562542]
ChEMBL Displacement of fluormone VDR red from human full length VDR after 4 hrs by fluorescence polarization assay B 8.95 pIC50 1.13 nM IC50 J Med Chem (2018) 61: 3059-3075 [PMID:29518319]
ChEMBL Displacement of 1-alpha, 25-(OH)[3H]D3 from human VDR expressed in COS1 cells B 9.1 pIC50 0.8 nM IC50 J. Med. Chem. (2007) 50: 5824-5832 [PMID:17924616]
ChEMBL Displacement of [3H]1,25-dihydroxyvitamin D3 from human VDR by HAP assay B 9.15 pIC50 0.7 nM IC50 J. Med. Chem. (2006) 49: 7513-7517 [PMID:17149880]
ChEMBL Displacement of [3H]-1,25(OH)2D3 from recombinant human VDR ligand binding domain B 9.46 pIC50 0.35 nM IC50 J. Med. Chem. (2015) 58: 9510-9521 [PMID:26613420]
ChEMBL Displacement of [3H]-1,25-(OH)2D3 from N-terminal GST-tagged human recombinant vitamin D receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) pLys S after 16 hrs B 9.8 pIC50 0.16 nM IC50 J Med Chem (2017) 60: 8394-8406 [PMID:28954197]
ChEMBL Agonist activity at VDR (unknown origin) expressed in HEK293 cells cotransfected with NCoR assessed as decrease in NCoR recruitment by two-hybrid assay B 10 pIC50 0.1 nM IC50 J. Med. Chem. (2015) 58: 9510-9521 [PMID:26613420]
ChEMBL Agonist activity at GAL4 DNA-binding domain fused VDR (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed as beta-lactamase transcriptional activation by FRET-based GeneBLAzer assay B 10.02 pIC50 0.1 nM IC50 Eur J Med Chem (2018) 157: 791-804 [PMID:30144697]
ChEMBL Displacement of [3H]-1-alpha,25-dihydroxyvitamin D3 from N-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli Rosetta2 (DE3) after 16 hrs B 10.1 pIC50 0.08 nM IC50 J. Med. Chem. (2014) 57: 4351-4367 [PMID:24742174]
ChEMBL Displacement of [3H]-1alpha,25-dihydroxyvitamin D3 from recombinant human VDR LBD expressed in Escherichia coli BL21 (DE3) pLysS after 16 hrs B 10.22 pIC50 0.06 nM IC50 Bioorg. Med. Chem. (2015) 23: 7274-7281 [PMID:26515040]
ChEMBL Transrepression of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-NCoR and MH100(UAS) X 4tk-LUC reporter plasmid assessed as increase in NCoR recruitment by beta-galactosidase reporter gene based mammalian two-hybrid assay B 10.3 pIC50 0.05 nM IC50 J Med Chem (2018) 61: 6658-6673 [PMID:29989817]
ChEMBL Displacement of [3H]-1,25D3 from C-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli BL21 (DE3) after 16 hrs by radioligand binding assay B 10.4 pIC50 0.04 nM IC50 J Med Chem (2018) 61: 6339-6349 [PMID:29936834]
ChEMBL Transactivation of VDR in human Caco2 cells after 24 hrs by luciferase reporter gene assay B 6.29 pEC50 515.2 nM EC50 J. Med. Chem. (2015) 58: 7881-7887 [PMID:26367019]
ChEMBL Transactivation of VDR in human HaCaT cells after 24 hrs by luciferase reporter gene assay B 6.49 pEC50 321.5 nM EC50 J. Med. Chem. (2015) 58: 7881-7887 [PMID:26367019]
ChEMBL Activation of VDR in human HaCaT cells expressing lentiviral VDRE-luciferase vector assessed as VDRE-mediated transcriptional activity measured after 24 hrs by luciferase transcriptional reporter assay B 6.6 pEC50 249.7 nM EC50 J. Med. Chem. (2016) 59: 5102-5108 [PMID:27070779]
ChEMBL Activation of VDR in human Caco2 cells expressing lentiviral VDRE-luciferase vector assessed as VDRE-mediated transcriptional activity measured after 24 hrs by luciferase transcriptional reporter assay B 6.65 pEC50 223.4 nM EC50 J. Med. Chem. (2016) 59: 5102-5108 [PMID:27070779]
ChEMBL Agonist activity at VDR ligand binding domain (unknown origin) by reporter gene assay B 7.82 pEC50 15 nM EC50 Bioorg. Med. Chem. Lett. (2013) 23: 5949-5952 [PMID:24035340]
ChEMBL Activation of VDR in human THP1 cells assessed as increase in cathelicidin antimicrobial peptide mRNA expression by RT-PCR B 8 pEC50 10 nM EC50 J. Med. Chem. (2009) 52: 2204-2213 [PMID:19309155]
ChEMBL Activation of VDR in human THP1 cells assessed as increase in 25-hydroxyvitamin D-24-hydroxylase mRNA expression by RT-PCR B 8 pEC50 10 nM EC50 J. Med. Chem. (2009) 52: 2204-2213 [PMID:19309155]
ChEMBL 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 analysis B 8.05 pEC50 9 nM EC50 Eur. J. Med. Chem. (2016) 107: 48-62 [PMID:26562542]
ChEMBL Agonist activity at VDR in human HL60 cells assessed as induction of cell differentiation after 96 hrs by NBT assay B 8.05 pEC50 9 nM EC50 J Med Chem (2018) 61: 3059-3075 [PMID:29518319]
ChEMBL Inhibition of human VDR-cofactor interaction by EnBio receptor cofactor assay system B 8.11 pEC50 7.7 nM EC50 Bioorg. Med. Chem. (2015) 23: 1055-1061 [PMID:25637122]
ChEMBL Agonist activity at human VDR B 8.11 pEC50 7.7 nM EC50 Bioorg. Med. Chem. Lett. (2013) 23: 4292-4296 [PMID:23806555]
ChEMBL Activation of VDR in human Jurkat cells expressing lentiviral VDRE-luciferase vector assessed as VDRE-mediated transcriptional activity measured after 24 hrs by luciferase transcriptional reporter assay B 8.4 pEC50 3.94 nM EC50 J. Med. Chem. (2016) 59: 5102-5108 [PMID:27070779]
ChEMBL Effect on VDR transcriptional activity in human Caco-2 cells in presence of 5% fetal calf serum B 8.45 pEC50 3.52 nM EC50 Bioorg. Med. Chem. Lett. (2008) 18: 120-123 [PMID:18054230]
ChEMBL Agonist activity at VDR in human MCF7 cells assessed as transcription of CYP24A1 gene after 24 hrs by luciferase reporter gene assay F 8.48 pEC50 3.28 nM EC50 J. Med. Chem. (2012) 55: 8642-8656 [PMID:22989379]
ChEMBL Agonist activity at CMX-GAL4 tagged human VDR expressed in HEK293 cells assessed as increase in transcriptional activity by luciferase reporter gene assay B 8.52 pEC50 3 nM EC50 Bioorg. Med. Chem. (2013) 21: 1643-1651 [PMID:23462715]
ChEMBL Transactivation of full length human VDR expressed in human HeLa cells assessed as increase in CYP24 transcription after 18 hrs by luciferase reporter gene assay B 8.6 pEC50 2.5 nM EC50 J. Med. Chem. (2012) 55: 8440-8449 [PMID:22957834]
ChEMBL Agonist activity at VDR in human MCF7 cells assessed as increase in transcription of CYP24A1 gene after 24 hrs by luciferase reporter gene assay B 8.8 pEC50 1.6 nM EC50 J Med Chem (2018) 61: 4928-4937 [PMID:29733645]
ChEMBL Agonist activity at human VDR in HEK293 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase reporter gene assay F 9 pEC50 1 nM EC50 Bioorg. Med. Chem. (2008) 16: 457-473 [PMID:17904370]
ChEMBL Transactivation of GAL4-fused VDR ligand binding domain expressed in human HeLa cells after 16 hrs by luciferase reporter gene assay B 9 pEC50 1 nM EC50 J. Med. Chem. (2012) 55: 8440-8449 [PMID:22957834]
ChEMBL Transactivation of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-SRC-1 and MH100(UAS) X 4tk-LUC reporter plasmid assessed as increase in SRC-1 recruitment by beta-galactosidase reporter gene based mammalian two-hybrid assay B 9.05 pEC50 >0.9 nM EC50 J Med Chem (2018) 61: 6658-6673 [PMID:29989817]
ChEMBL Agonist activity at VDR (unknown origin) expressed in HEK293 cells cotransfected with RXRalpha assessed as RXRalpha recruitment by two-hybrid assay B 9.22 pEC50 0.6 nM EC50 J. Med. Chem. (2015) 58: 9510-9521 [PMID:26613420]
ChEMBL Effect on VDR transcriptional activity in human osteosarcoma cells in presence of 5% fetal calf serum B 9.26 pEC50 0.56 nM EC50 Bioorg. Med. Chem. Lett. (2008) 18: 120-123 [PMID:18054230]
ChEMBL Induction of transactivation of human VDR responsive gene in COS7 cells by rat osteopontin luciferase reporter gene assay B 9.3 pEC50 0.5 nM EC50 J. Med. Chem. (2007) 50: 932-939 [PMID:17298045]
ChEMBL Agonist activity at human VDR in COS7 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase reporter gene assay F 9.3 pEC50 0.5 nM EC50 Bioorg. Med. Chem. (2008) 16: 457-473 [PMID:17904370]
ChEMBL Agonist activity at VDR expressed in human HuH7 cells after 24 hrs by pDR3-luciferase reporter gene assay B 9.52 pEC50 0.3 nM EC50 J. Med. Chem. (2016) 59: 4601-4610 [PMID:27145071]
ChEMBL Agonist activity at VDR in human HEK293 cells assessed as transcriptional activity after 16 to 24 hrs by luciferase reporter gene assay B 9.92 pEC50 0.12 nM EC50 J. Med. Chem. (2015) 58: 9510-9521 [PMID:26613420]
ChEMBL Transactivation of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-RXRalpha and MH100(UAS) X 4tk-LUC reporter plasmid assessed as increase in interaction with RXRalpha by beta-galactosidase reporter gene based mammalian two-hybrid assay B 10.15 pEC50 0.07 nM EC50 J Med Chem (2018) 61: 6658-6673 [PMID:29989817]
ChEMBL Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay B 10.59 pEC50 0.03 nM EC50 ACS Med. Chem. Lett. (2013) 4: 671-674 [PMID:24900728]
ChEMBL Effect on VDR transcriptional activity in human osteosarcoma cells B 10.97 pEC50 0.01 nM EC50 Bioorg. Med. Chem. Lett. (2008) 18: 120-123 [PMID:18054230]
ChEMBL Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activation measured 24 hrs post infection by luciferase reporter gene assay B 11 pEC50 0.01 nM EC50 Bioorg. Med. Chem. Lett. (2011) 21: 6104-6107 [PMID:21889334]
Vitamin D receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3452] [UniProtKB: Q28037]
ChEMBL Displacement of [3H]1,25-(OH)2D3 from vitamin D receptor in bovine thymus B 10.15 pEC50 0.07 nM EC50 J. Med. Chem. (2007) 50: 932-939 [PMID:17298045]
ChEMBL Displacement of [3H]1,25-(OH)2D3 from bovine thymus vitamin D receptor B 10.3 pEC50 0.05 nM EC50 J. Med. Chem. (2009) 52: 1438-1449 [PMID:19193059]
Vitamin D receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3150] [GtoPdb: 605] [UniProtKB: P13053]
ChEMBL Activity at rat recombinant full length VDR expressed in rat ROS 17/2.8 cells transfected with 24-hydroxylase gene promoter assessed as transcriptional activation after 16 hrs by luciferase reporter gene assay B 9.7 pKi 0.2 nM Ki J. Med. Chem. (2010) 53: 8642-8649 [PMID:21105677]
ChEMBL Displacement of [3H]1-alpha,25-(OH)2D3 from rat recombinant full length VDR B 10 pKi 0.1 nM Ki Bioorg. Med. Chem. (2009) 17: 1747-1763 [PMID:19167893]
ChEMBL Displacement of [3H]1-alpha,25-(OH)2D3 from rat recombinant full length VDR B 10 pKi 0.1 nM Ki J. Med. Chem. (2009) 52: 3496-3504 [PMID:19402630]
ChEMBL Displacement of radiolabeled 1-alpha,25-(OH)2D3 from rat recombinant full length VDR B 10 pKi 0.1 nM Ki Bioorg. Med. Chem. (2009) 17: 7658-7669 [PMID:19819702]
ChEMBL Displacement of [3H]1alpha,25-(OH)2D3 from rat recombinant full length VDR B 10 pKi 0.1 nM Ki J. Med. Chem. (2010) 53: 8642-8649 [PMID:21105677]
ChEMBL Displacement of radiolabeled 1alpha, 25-(OH)2D3 from recombinant rat VDR B 10 pKi 0.1 nM Ki J. Med. Chem. (2011) 54: 6832-6842 [PMID:21902235]
ChEMBL Displacement of [3H]-1alpha,25(OH)2D3 from recombinant rat VDR by scintillation counting B 10 pKi 0.1 nM Ki Bioorg. Med. Chem. (2011) 19: 7205-7220 [PMID:22018918]
ChEMBL Displacement of [3H]-1alpha25-(OH)2D3 from full length recombinant rat vitamin D receptor by scintillation counting analysis B 10 pKi 0.1 nM Ki J. Med. Chem. (2015) 58: 6237-6247 [PMID:26206427]
ChEMBL Displacement of [3H]-1alpha,25(OH)2D3 from recombinant rat VDR after overnight incubation by scintillation counting B 10 pKi 0.1 nM Ki J. Med. Chem. (2012) 55: 4352-4366 [PMID:22490010]
ChEMBL Displacement of [3H]1-alpha,25-(OH)2D3 from rat recombinant full length VDR B 10.3 pKi 0.05 nM Ki Bioorg. Med. Chem. (2008) 16: 8563-8573 [PMID:18722130]
ChEMBL Displacement of [3H]1alpha,25-(OH)2D3 from full-length recombinant rat VDR by scintillation counter B 10.4 pKi 0.04 nM Ki J. Med. Chem. (2015) 58: 9731-9741 [PMID:26630444]
ChEMBL Activity at VDR in rat osteosarcoma cells assessed as induction of 24-hydroxylase reporter gene transcription by luciferase reporter gene assay B 9.52 pEC50 0.3 nM EC50 Bioorg. Med. Chem. (2009) 17: 7658-7669 [PMID:19819702]
ChEMBL Activity at VDR in rat osteosarcoma cells assessed as 24-hydroxylase transcription by reporter gene assay B 9.7 pEC50 0.2 nM EC50 J. Med. Chem. (2007) 50: 6154-6164 [PMID:17960924]
ChEMBL Activity at rat recombinant full length VDR expressed in rat ROS 17/2.8 cells transfected with 24-hydroxylase gene promoter assessed as transcriptional activation after 16 hrs by luciferase reporter gene assay B 9.7 pEC50 0.2 nM EC50 Bioorg. Med. Chem. (2008) 16: 8563-8573 [PMID:18722130]
ChEMBL 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 gene assay B 9.7 pEC50 0.2 nM EC50 Bioorg. Med. Chem. (2009) 17: 1747-1763 [PMID:19167893]
ChEMBL 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 by luciferase reporter gene assay F 9.7 pEC50 0.2 nM EC50 Bioorg. Med. Chem. (2011) 19: 7205-7220 [PMID:22018918]
ChEMBL Displacement of [3H]1,25-(OH)2D3 from rat recombinant His-tagged VDR ligand-binding domain expressed in Escherichia coli BL21 B 10 pEC50 0.1 nM EC50 Bioorg. Med. Chem. (2008) 16: 457-473 [PMID:17904370]
ChEMBL Displacement of 1-alpha,25-dihydroxyvitamin from rat recombinant VDR B 10.3 pEC50 0.05 nM EC50 J. Med. Chem. (2007) 50: 6154-6164 [PMID:17960924]

ChEMBL data shown on this page come from version 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]