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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'inaba' and Initial = 'y'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50388528
PNG
(CHEMBL2058272)
Show SMILES [#6]-[#6]C([#8])([#6]-[#6])[#6]-[#6]-[#6@@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C28H46O3/c1-6-28(31,7-2)16-14-19(3)23-12-13-24-22(9-8-15-27(23,24)5)11-10-21-17-25(29)20(4)26(30)18-21/h10-11,19,23-26,29-31H,4,6-9,12-18H2,1-3,5H3/b22-11+/t19-,23-,24+,25-,26-,27-/m1/s1
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n/an/a 0.0290n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]1alpha,25-dihydroxyvitamin D3 from human recombinant GST-tagged vitamin D3 receptor LBD expressed in Escherichia coli BL21 after ...


J Med Chem 55: 4373-81 (2012)


Article DOI: 10.1021/jm300230a
BindingDB Entry DOI: 10.7270/Q25M66R0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50200182
PNG
((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
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n/an/a 0.0600n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1alpha,25-dihydroxyvitamin D3 from recombinant human VDR LBD expressed in Escherichia coli BL21 (DE3) pLysS after 16 hrs


Bioorg Med Chem 23: 7274-81 (2015)


Article DOI: 10.1016/j.bmc.2015.10.026
BindingDB Entry DOI: 10.7270/Q2R78H20
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50129805
PNG
(CHEMBL3629552)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6@H](-[#6]-[#6]-[#8])-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |r|
Show InChI InChI=1S/C30H50O3/c1-5-6-7-8-10-24(16-18-31)21(2)26-14-15-27-25(11-9-17-30(26,27)4)13-12-23-19-28(32)22(3)29(33)20-23/h12-13,21,24,26-29,31-33H,3,5-11,14-20H2,1-2,4H3/b25-13+/t21-,24+,26-,27+,28-,29-,30-/m1/s1
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n/an/a 0.210n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1alpha,25-dihydroxyvitamin D3 from recombinant human VDR LBD expressed in Escherichia coli BL21 (DE3) pLysS after 16 hrs


Bioorg Med Chem 23: 7274-81 (2015)


Article DOI: 10.1016/j.bmc.2015.10.026
BindingDB Entry DOI: 10.7270/Q2R78H20
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50388529
PNG
(CHEMBL2058273)
Show SMILES [#6]-[#6]-[#6@@H](-[#6]C([#8])([#6]-[#6])[#6]-[#6])-[#6@@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C30H50O3/c1-7-23(19-30(33,8-2)9-3)20(4)25-14-15-26-24(11-10-16-29(25,26)6)13-12-22-17-27(31)21(5)28(32)18-22/h12-13,20,23,25-28,31-33H,5,7-11,14-19H2,1-4,6H3/b24-13+/t20-,23+,25-,26+,27-,28-,29-/m1/s1
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n/an/a 0.380n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]1alpha,25-dihydroxyvitamin D3 from human recombinant GST-tagged vitamin D3 receptor LBD expressed in Escherichia coli BL21 after ...


J Med Chem 55: 4373-81 (2012)


Article DOI: 10.1021/jm300230a
BindingDB Entry DOI: 10.7270/Q25M66R0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50388530
PNG
(CHEMBL2058274)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@@H](-[#6]C([#8])([#6]-[#6])[#6]-[#6])-[#6@@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C32H54O3/c1-7-10-12-26(21-32(35,8-2)9-3)22(4)27-16-17-28-25(13-11-18-31(27,28)6)15-14-24-19-29(33)23(5)30(34)20-24/h14-15,22,26-30,33-35H,5,7-13,16-21H2,1-4,6H3/b25-15+/t22-,26+,27-,28+,29-,30-,31-/m1/s1
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n/an/a 0.410n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]1alpha,25-dihydroxyvitamin D3 from human recombinant GST-tagged vitamin D3 receptor LBD expressed in Escherichia coli BL21 after ...


J Med Chem 55: 4373-81 (2012)


Article DOI: 10.1021/jm300230a
BindingDB Entry DOI: 10.7270/Q25M66R0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50375808
PNG
(CHEMBL409470)
Show SMILES [#6]-[#6@@H](-[#6]-[#6@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21-,22+,23-,24+,25+,27+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at human VDR in COS7 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase ...


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))
BDBM50292629
PNG
((23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...)
Show SMILES [#6]-[#6@H](-[#6]-[#6@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21+,22-,23+,24-,25-,27-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at human VDR in COS7 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase ...


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))
BDBM50292630
PNG
((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...)
Show SMILES [#6]-[#6@H](-[#6]-[#6@@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21-,22-,23+,24-,25-,27-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at human VDR in HEK293 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferas...


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))
BDBM50375809
PNG
(CHEMBL429347)
Show SMILES [#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21+,22+,23-,24+,25+,27+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at human VDR in COS7 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase ...


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))
BDBM50292630
PNG
((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...)
Show SMILES [#6]-[#6@H](-[#6]-[#6@@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21-,22-,23+,24-,25-,27-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at human VDR in COS7 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase ...


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


(Bos taurus)
BDBM50293099
PNG
((1alpha,22S,24S)-22-Butyl-1,24-dihydroxyvitamin D3...)
Show SMILES CCCC[C@@H](C[C@H](O)C(C)C)[C@@H](C)[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/C31H52O3/c1-7-8-10-24(18-29(33)20(2)3)21(4)27-14-15-28-23(11-9-16-31(27,28)6)12-13-25-17-26(32)19-30(34)22(25)5/h12-13,20-21,24,26-30,32-34H,5,7-11,14-19H2,1-4,6H3/b23-12+,25-13-/t21-,24+,26-,27-,28+,29+,30+,31-/m1/s1
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n/an/an/an/a 3.80n/an/an/an/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


(Bos taurus)
BDBM50205233
PNG
((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...)
Show SMILES CC[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C29H48O3/c1-7-21(14-16-28(4,5)32)19(2)25-12-13-26-22(9-8-15-29(25,26)6)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,30-32H,3,7-9,12-18H2,1-2,4-6H3/b22-10+,23-11-/t19-,21+,24+,25+,26?,27-,29+/m0/s1
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n/an/an/an/a 0.0180n/an/an/an/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


(Bos taurus)
BDBM50205234
PNG
((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...)
Show SMILES C[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C28H46O3/c1-18(13-15-27(4,5)31)19(2)24-11-12-25-21(8-7-14-28(24,25)6)9-10-22-16-23(29)17-26(30)20(22)3/h9-10,18-19,23-26,29-31H,3,7-8,11-17H2,1-2,4-6H3/b21-9+,22-10-/t18-,19+,23-,24-,25?,26+,28-/m1/s1
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n/an/an/an/a 0.0310n/an/an/an/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


(Bos taurus)
BDBM50200182
PNG
((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
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n/an/an/an/a 0.0710n/an/an/an/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
PNG
((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
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n/an/an/an/a 0.5n/an/an/an/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))
BDBM50205234
PNG
((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...)
Show SMILES C[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C28H46O3/c1-18(13-15-27(4,5)31)19(2)24-11-12-25-21(8-7-14-28(24,25)6)9-10-22-16-23(29)17-26(30)20(22)3/h9-10,18-19,23-26,29-31H,3,7-8,11-17H2,1-2,4-6H3/b21-9+,22-10-/t18-,19+,23-,24-,25?,26+,28-/m1/s1
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n/an/an/an/a 0.00300n/an/an/an/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))
BDBM50205233
PNG
((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...)
Show SMILES CC[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C29H48O3/c1-7-21(14-16-28(4,5)32)19(2)25-12-13-26-22(9-8-15-29(25,26)6)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,30-32H,3,7-9,12-18H2,1-2,4-6H3/b22-10+,23-11-/t19-,21+,24+,25+,26?,27-,29+/m0/s1
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n/an/an/an/a 0.00200n/an/an/an/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))
BDBM50205235
PNG
((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...)
Show SMILES CCCC[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C31H52O3/c1-7-8-10-23(16-18-30(4,5)34)21(2)27-14-15-28-24(11-9-17-31(27,28)6)12-13-25-19-26(32)20-29(33)22(25)3/h12-13,21,23,26-29,32-34H,3,7-11,14-20H2,1-2,4-6H3/b24-12+,25-13-/t21-,23+,26+,27+,28?,29-,31+/m0/s1
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n/an/an/an/a 0.200n/an/an/an/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


(Bos taurus)
BDBM50205235
PNG
((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...)
Show SMILES CCCC[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C31H52O3/c1-7-8-10-23(16-18-30(4,5)34)21(2)27-14-15-28-24(11-9-17-31(27,28)6)12-13-25-19-26(32)20-29(33)22(25)3/h12-13,21,23,26-29,32-34H,3,7-11,14-20H2,1-2,4-6H3/b24-12+,25-13-/t21-,23+,26+,27+,28?,29-,31+/m0/s1
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n/an/an/an/a 0.890n/an/an/an/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
PNG
((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
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n/an/an/an/a 1n/an/an/an/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


(Homo sapiens (Human))
BDBM50292629
PNG
((23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...)
Show SMILES [#6]-[#6@H](-[#6]-[#6@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21+,22-,23+,24-,25-,27-/m1/s1
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n/an/an/an/a 1n/an/an/an/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


(Homo sapiens (Human))
BDBM50292630
PNG
((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...)
Show SMILES [#6]-[#6@H](-[#6]-[#6@@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21-,22-,23+,24-,25-,27-/m1/s1
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n/an/an/an/a 200n/an/an/an/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


(Homo sapiens (Human))
BDBM50375808
PNG
(CHEMBL409470)
Show SMILES [#6]-[#6@@H](-[#6]-[#6@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21-,22+,23-,24+,25+,27+/m0/s1
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n/an/an/an/a 15n/an/an/an/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
PNG
((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
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n/an/an/an/a 0.100n/an/an/an/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
3D Structure (crystal)
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50200182
PNG
((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
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n/an/an/an/a 0.5n/an/an/an/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


(Rattus norvegicus)
BDBM50375809
PNG
(CHEMBL429347)
Show SMILES [#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21+,22+,23-,24+,25+,27+/m0/s1
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n/an/an/an/a 5n/an/an/an/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
Vitamin D3 receptor


(Rattus norvegicus)
BDBM50292629
PNG
((23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...)
Show SMILES [#6]-[#6@H](-[#6]-[#6@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21+,22-,23+,24-,25-,27-/m1/s1
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n/an/an/an/a 0.700n/an/an/an/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
Vitamin D3 receptor


(Rattus norvegicus)
BDBM50292630
PNG
((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...)
Show SMILES [#6]-[#6@H](-[#6]-[#6@@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21-,22-,23+,24-,25-,27-/m1/s1
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n/an/an/an/a 20n/an/an/an/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
Vitamin D3 receptor


(Rattus norvegicus)
BDBM50375808
PNG
(CHEMBL409470)
Show SMILES [#6]-[#6@@H](-[#6]-[#6@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21-,22+,23-,24+,25+,27+/m0/s1
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n/an/an/an/a 5n/an/an/an/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
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50292630
PNG
((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...)
Show SMILES [#6]-[#6@H](-[#6]-[#6@@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21-,22-,23+,24-,25-,27-/m1/s1
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n/an/an/an/a 150n/an/an/an/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))
BDBM50292629
PNG
((23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...)
Show SMILES [#6]-[#6@H](-[#6]-[#6@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21+,22-,23+,24-,25-,27-/m1/s1
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n/an/an/an/a 25n/an/an/an/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))
BDBM50375809
PNG
(CHEMBL429347)
Show SMILES [#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21+,22+,23-,24+,25+,27+/m0/s1
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n/an/an/an/a 6n/an/an/an/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))
BDBM50375808
PNG
(CHEMBL409470)
Show SMILES [#6]-[#6@@H](-[#6]-[#6@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21-,22+,23-,24+,25+,27+/m0/s1
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n/an/an/an/a 10n/an/an/an/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))
BDBM50375809
PNG
(CHEMBL429347)
Show SMILES [#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1
Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21+,22+,23-,24+,25+,27+/m0/s1
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n/an/an/an/a 20n/an/an/an/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


(Bos taurus)
BDBM50200182
PNG
((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
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n/an/an/an/a 0.0500n/an/an/an/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


(Bos taurus)
BDBM50293098
PNG
((1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2S,4R)-2...)
Show SMILES CCCC[C@@H](C[C@@H](O)C(C)C)[C@@H](C)[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/C31H52O3/c1-7-8-10-24(18-29(33)20(2)3)21(4)27-14-15-28-23(11-9-16-31(27,28)6)12-13-25-17-26(32)19-30(34)22(25)5/h12-13,20-21,24,26-30,32-34H,5,7-11,14-19H2,1-4,6H3/b23-12+,25-13-/t21-,24+,26-,27-,28+,29-,30+,31-/m1/s1
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n/an/an/an/a 20n/an/an/an/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


(Bos taurus)
BDBM50293097
PNG
((1alpha,22R,24S)-22-Butyl-1,24-dihydroxyvitamin D3...)
Show SMILES CCCC[C@H](C[C@H](O)C(C)C)[C@@H](C)[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/C31H52O3/c1-7-8-10-24(18-29(33)20(2)3)21(4)27-14-15-28-23(11-9-16-31(27,28)6)12-13-25-17-26(32)19-30(34)22(25)5/h12-13,20-21,24,26-30,32-34H,5,7-11,14-19H2,1-4,6H3/b23-12+,25-13-/t21-,24-,26-,27-,28+,29+,30+,31-/m1/s1
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n/an/an/an/a 3.40n/an/an/an/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


(Bos taurus)
BDBM50293096
PNG
((1alpha,22R,24R)-22-Butyl-1,24-dihydroxyvitamin D3...)
Show SMILES CCCC[C@H](C[C@@H](O)C(C)C)[C@@H](C)[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/C31H52O3/c1-7-8-10-24(18-29(33)20(2)3)21(4)27-14-15-28-23(11-9-16-31(27,28)6)12-13-25-17-26(32)19-30(34)22(25)5/h12-13,20-21,24,26-30,32-34H,5,7-11,14-19H2,1-4,6H3/b23-12+,25-13-/t21-,24-,26-,27-,28+,29-,30+,31-/m1/s1
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n/an/an/an/a 16n/an/an/an/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


(Bos taurus)
BDBM50293095
PNG
(20S,22R-Butyl-1alpha,24-dihydroxy-24,25,26-trinorv...)
Show SMILES CCCC[C@H](CCO)[C@H](C)[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/C28H46O3/c1-5-6-8-21(14-16-29)19(2)25-12-13-26-22(9-7-15-28(25,26)4)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b22-10+,23-11-/t19-,21+,24+,25+,26-,27-,28+/m0/s1
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n/an/an/an/a 20n/an/an/an/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


(Bos taurus)
BDBM50293092
PNG
(22R-Butyl-1alpha,24-dihydroxy-24,25,26-trinorvitam...)
Show SMILES CCCC[C@H](CCO)[C@@H](C)[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/C28H46O3/c1-5-6-8-21(14-16-29)19(2)25-12-13-26-22(9-7-15-28(25,26)4)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b22-10+,23-11-/t19-,21-,24-,25-,26+,27+,28-/m1/s1
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n/an/an/an/a 11n/an/an/an/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


(Bos taurus)
BDBM50293093
PNG
((1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-(2...)
Show SMILES CCCC[C@@H](CCO)[C@@H](C)[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/C28H46O3/c1-5-6-8-21(14-16-29)19(2)25-12-13-26-22(9-7-15-28(25,26)4)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b22-10+,23-11-/t19-,21+,24-,25-,26+,27+,28-/m1/s1
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n/an/an/an/a 1.20n/an/an/an/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


(Bos taurus)
BDBM50293094
PNG
((1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3S)-3-(2...)
Show SMILES CCCC[C@@H](CCO)[C@H](C)[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/C28H46O3/c1-5-6-8-21(14-16-29)19(2)25-12-13-26-22(9-7-15-28(25,26)4)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b22-10+,23-11-/t19-,21-,24+,25+,26-,27-,28+/m0/s1
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n/an/an/an/a 2n/an/an/an/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