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Compile Data Set for Download or QSAR

Found 474 hits of ic50 data for polymerid = 50005810,5360   
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 CCC(O)(CC)CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
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
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))
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
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 0.0800n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1-alpha,25-dihydroxyvitamin D3 from N-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli Rosetta2 (DE3)...


J Med Chem 57: 4351-67 (2014)


Article DOI: 10.1021/jm500392t
BindingDB Entry DOI: 10.7270/Q24M962V
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50135039
PNG
(CHEMBL3745849)
Show SMILES C[C@]12CCC\C(=C/C=C3C[C@@H](O)C(=C)[C@H](O)C3)[C@@H]1CC[C@@H]2C#CC#C[C@@H](O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C34H44O3/c1-22-30(35)17-23(18-31(22)36)9-10-27-6-5-13-33(2)28(11-12-29(27)33)7-3-4-8-32(37)34-19-24-14-25(20-34)16-26(15-24)21-34/h9-10,24-26,28-32,35-37H,1,5-6,11-21H2,2H3/b27-10+/t24?,25?,26?,28-,29-,30+,31+,32+,33+,34?/m0/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Rikkyo University

Curated by ChEMBL


Assay Description
Agonist activity at VDR (unknown origin) expressed in HEK293 cells cotransfected with NCoR assessed as decrease in NCoR recruitment by two-hybrid ass...


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
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
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 0.100n/an/an/an/an/an/a



Rikkyo University

Curated by ChEMBL


Assay Description
Agonist activity at VDR (unknown origin) expressed in HEK293 cells cotransfected with NCoR assessed as decrease in NCoR recruitment by two-hybrid ass...


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))
BDBM50013605
PNG
(CHEMBL3264162)
Show SMILES CCCC[C@H](CC(C)(C)O)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C30H50O3/c1-7-8-10-24(19-29(4,5)33)20(2)25-14-15-26-23(11-9-16-30(25,26)6)13-12-22-17-27(31)21(3)28(32)18-22/h12-13,20,24-28,31-33H,3,7-11,14-19H2,1-2,4-6H3/b23-13+/t20-,24-,25-,26+,27-,28-,30-/m1/s1
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n/an/a 0.120n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1-alpha,25-dihydroxyvitamin D3 from N-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli Rosetta2 (DE3)...


J Med Chem 57: 4351-67 (2014)


Article DOI: 10.1021/jm500392t
BindingDB Entry DOI: 10.7270/Q24M962V
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50129805
PNG
(CHEMBL3629552)
Show SMILES CCCCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
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))
BDBM50013603
PNG
(CHEMBL3264160)
Show SMILES CCCC[C@H](CCO)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C28H46O3/c1-5-6-8-22(14-16-29)19(2)24-12-13-25-23(9-7-15-28(24,25)4)11-10-21-17-26(30)20(3)27(31)18-21/h10-11,19,22,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b23-11+/t19-,22-,24-,25+,26-,27-,28-/m1/s1
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n/an/a 0.260n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1-alpha,25-dihydroxyvitamin D3 from N-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli Rosetta2 (DE3)...


J Med Chem 57: 4351-67 (2014)


Article DOI: 10.1021/jm500392t
BindingDB Entry DOI: 10.7270/Q24M962V
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50013612
PNG
(CHEMBL3264166)
Show SMILES CCCC[C@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C31H52O3/c1-7-8-10-24(16-18-30(4,5)34)21(2)26-14-15-27-25(11-9-17-31(26,27)6)13-12-23-19-28(32)22(3)29(33)20-23/h12-13,21,24,26-29,32-34H,3,7-11,14-20H2,1-2,4-6H3/b25-13+/t21-,24-,26-,27+,28-,29-,31-/m1/s1
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n/an/a 0.290n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1-alpha,25-dihydroxyvitamin D3 from N-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli Rosetta2 (DE3)...


J Med Chem 57: 4351-67 (2014)


Article DOI: 10.1021/jm500392t
BindingDB Entry DOI: 10.7270/Q24M962V
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
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 0.350n/an/an/an/an/an/a



Rikkyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1,25(OH)2D3 from recombinant human VDR ligand binding domain


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))
BDBM50388529
PNG
(CHEMBL2058273)
Show SMILES CC[C@@H](CC(O)(CC)CC)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
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 CCCC[C@@H](CC(O)(CC)CC)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
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))
BDBM50015318
PNG
(CHEMBL3263871)
Show SMILES C[C@H](CC#C[C@@H](O)C12CC3CC(CC(C3)C1)C2)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-25-14-26(20-35)16-27(15-25)21-35)29-11-12-30-28(7-5-13-34(29,30)3)10-9-24-17-31(36)23(2)32(37)18-24/h9-10,22,25-27,29-33,36-38H,2,5-7,11-21H2,1,3H3/b28-10+/t22-,25?,26?,27?,29-,30+,31-,32-,33-,34-,35?/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Rikkyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1,25(OH)2D3 from GST-fused human VDR-LBD expressed in Escherichia coli BL21


J Med Chem 57: 4073-87 (2014)


Article DOI: 10.1021/jm401989c
BindingDB Entry DOI: 10.7270/Q2ZS2Z2G
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
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 0.700n/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]1,25-dihydroxyvitamin D3 from human VDR by HAP assay


J Med Chem 49: 7513-7 (2006)


Article DOI: 10.1021/jm0609925
BindingDB Entry DOI: 10.7270/Q2XG9QS7
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
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 0.800n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Displacement of 1alpha, 25-(OH)[3H]D3 from human VDR expressed in COS1 cells


J Med Chem 50: 5824-32 (2007)


Article DOI: 10.1021/jm070882d
BindingDB Entry DOI: 10.7270/Q2NK3DSS
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50013607
PNG
(CHEMBL3264164)
Show SMILES CCCC[C@H](CCCO)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C29H48O3/c1-5-6-9-23(11-8-17-30)20(2)25-14-15-26-24(10-7-16-29(25,26)4)13-12-22-18-27(31)21(3)28(32)19-22/h12-13,20,23,25-28,30-32H,3,5-11,14-19H2,1-2,4H3/b24-13+/t20-,23-,25-,26+,27-,28-,29-/m1/s1
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n/an/a 0.890n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1-alpha,25-dihydroxyvitamin D3 from N-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli Rosetta2 (DE3)...


J Med Chem 57: 4351-67 (2014)


Article DOI: 10.1021/jm500392t
BindingDB Entry DOI: 10.7270/Q24M962V
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50233330
PNG
(CHEMBL4068172)
Show SMILES CC(CCCC(C)(C)O)C1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
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 1.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Fluormone VDR Red binding to human VDR LBD expressed in insect cells assessed as binding ability by fluorescence polarization assay


Bioorg Med Chem Lett 27: 1428-1436 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.084
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
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 1.24n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity to VDR assessed as inhibition of fluorescent ligand by fluorescence polarization competition 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


(Homo sapiens (Human))
BDBM50013606
PNG
(CHEMBL3264163)
Show SMILES CC[C@H](CC(C)(C)O)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C28H46O3/c1-7-21(17-27(4,5)31)18(2)23-12-13-24-22(9-8-14-28(23,24)6)11-10-20-15-25(29)19(3)26(30)16-20/h10-11,18,21,23-26,29-31H,3,7-9,12-17H2,1-2,4-6H3/b22-11+/t18-,21-,23-,24+,25-,26-,28-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1-alpha,25-dihydroxyvitamin D3 from N-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli Rosetta2 (DE3)...


J Med Chem 57: 4351-67 (2014)


Article DOI: 10.1021/jm500392t
BindingDB Entry DOI: 10.7270/Q24M962V
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50013642
PNG
(CHEMBL3264169)
Show SMILES CC[C@H](CC(O)(CC)CC)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
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 1.60n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1-alpha,25-dihydroxyvitamin D3 from N-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli Rosetta2 (DE3)...


J Med Chem 57: 4351-67 (2014)


Article DOI: 10.1021/jm500392t
BindingDB Entry DOI: 10.7270/Q24M962V
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50013618
PNG
(CHEMBL3264168)
Show SMILES CCCC[C@H](CC(O)(CC)CC)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
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 1.80n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1-alpha,25-dihydroxyvitamin D3 from N-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli Rosetta2 (DE3)...


J Med Chem 57: 4351-67 (2014)


Article DOI: 10.1021/jm500392t
BindingDB Entry DOI: 10.7270/Q24M962V
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50013617
PNG
(CHEMBL3264167)
Show SMILES CC[C@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C29H48O3/c1-7-22(14-16-28(4,5)32)19(2)24-12-13-25-23(9-8-15-29(24,25)6)11-10-21-17-26(30)20(3)27(31)18-21/h10-11,19,22,24-27,30-32H,3,7-9,12-18H2,1-2,4-6H3/b23-11+/t19-,22-,24-,25+,26-,27-,29-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1-alpha,25-dihydroxyvitamin D3 from N-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli Rosetta2 (DE3)...


J Med Chem 57: 4351-67 (2014)


Article DOI: 10.1021/jm500392t
BindingDB Entry DOI: 10.7270/Q24M962V
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50013604
PNG
(CHEMBL3264161)
Show SMILES CC[C@H](CCO)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C26H42O3/c1-5-20(12-14-27)17(2)22-10-11-23-21(7-6-13-26(22,23)4)9-8-19-15-24(28)18(3)25(29)16-19/h8-9,17,20,22-25,27-29H,3,5-7,10-16H2,1-2,4H3/b21-9+/t17-,20-,22-,23+,24-,25-,26-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1-alpha,25-dihydroxyvitamin D3 from N-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli Rosetta2 (DE3)...


J Med Chem 57: 4351-67 (2014)


Article DOI: 10.1021/jm500392t
BindingDB Entry DOI: 10.7270/Q24M962V
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50292705
PNG
((25R)-25-Adamantyl-1alpha,25-dihydroxy-2-methylene...)
Show SMILES C[C@@H](\C=C\C[C@@H](O)C12CC3CC(CC(C3)C1)C2)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C35H52O3/c1-22(6-4-8-33(38)35-19-25-14-26(20-35)16-27(15-25)21-35)29-11-12-30-28(7-5-13-34(29,30)3)10-9-24-17-31(36)23(2)32(37)18-24/h4,6,9-10,22,25-27,29-33,36-38H,2,5,7-8,11-21H2,1,3H3/b6-4+,28-10+/t22-,25?,26?,27?,29+,30-,31+,32+,33+,34+,35?/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at VDR expressed in COS7 cells assessed as inhibition of 1,25-Dihydroxyvitamin D3-induced response by transient transcription ass...


J Med Chem 51: 5320-9 (2008)


Article DOI: 10.1021/jm8004477
BindingDB Entry DOI: 10.7270/Q28C9W2Z
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50396056
PNG
(CHEMBL2170202)
Show SMILES C[C@H](\C=C\C[C@H](O)CC12CC3CC(CC(C3)C1)C2)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C36H54O3/c1-23(6-4-8-30(37)22-36-19-26-14-27(20-36)16-28(15-26)21-36)31-11-12-32-29(7-5-13-35(31,32)3)10-9-25-17-33(38)24(2)34(39)18-25/h4,6,9-10,23,26-28,30-34,37-39H,2,5,7-8,11-22H2,1,3H3/b6-4+,29-10+/t23-,26?,27?,28?,30+,31-,32+,33-,34-,35-,36?/m1/s1
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n/an/a 3n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Transactivation of VDR expressed in COS7 cells assessed as reduction in 1,25-dihydroxyvitamin D3-induced transcriptional activity by transient transc...


Eur J Med Chem 46: 1949-63 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.047
BindingDB Entry DOI: 10.7270/Q22808QQ
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50135039
PNG
(CHEMBL3745849)
Show SMILES C[C@]12CCC\C(=C/C=C3C[C@@H](O)C(=C)[C@H](O)C3)[C@@H]1CC[C@@H]2C#CC#C[C@@H](O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C34H44O3/c1-22-30(35)17-23(18-31(22)36)9-10-27-6-5-13-33(2)28(11-12-29(27)33)7-3-4-8-32(37)34-19-24-14-25(20-34)16-26(15-24)21-34/h9-10,24-26,28-32,35-37H,1,5-6,11-21H2,2H3/b27-10+/t24?,25?,26?,28-,29-,30+,31+,32+,33+,34?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Rikkyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1,25(OH)2D3 from recombinant human VDR ligand binding domain


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))
BDBM50411164
PNG
(CHEMBL386412)
Show SMILES C[C@H](C[C@@H]1CC(=C)C(=O)O1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C27H38O4/c1-16(12-22-13-17(2)26(30)31-22)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-14-21(28)15-25(29)18(20)3/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b19-7+,20-8-/t16-,21-,22-,23-,24+,25+,27-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411143
PNG
(CHEMBL384614)
Show SMILES CCC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C
Show InChI InChI=1S/C30H44O4/c1-6-8-24-20(4)29(33)34-28(24)15-18(2)25-12-13-26-21(9-7-14-30(25,26)5)10-11-22-16-23(31)17-27(32)19(22)3/h10-11,18,23-28,31-32H,3-4,6-9,12-17H2,1-2,5H3/b21-10+,22-11-/t18-,23-,24+,25-,26+,27+,28-,30-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411137
PNG
(CHEMBL383910)
Show SMILES CCC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C
Show InChI InChI=1S/C30H44O4/c1-6-8-24-20(4)29(33)34-28(24)15-18(2)25-12-13-26-21(9-7-14-30(25,26)5)10-11-22-16-23(31)17-27(32)19(22)3/h10-11,18,23-28,31-32H,3-4,6-9,12-17H2,1-2,5H3/b21-10+,22-11-/t18-,23-,24-,25-,26+,27+,28+,30-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411132
PNG
(CHEMBL213868)
Show SMILES C[C@H](C[C@H]1OC(=O)C(=C)C1(C)C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C29H42O4/c1-17(14-26-28(4,5)19(3)27(32)33-26)23-11-12-24-20(8-7-13-29(23,24)6)9-10-21-15-22(30)16-25(31)18(21)2/h9-10,17,22-26,30-31H,2-3,7-8,11-16H2,1,4-6H3/b20-9+,21-10-/t17-,22-,23-,24+,25+,26-,29-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411106
PNG
(CHEMBL387098)
Show SMILES C[C@H](C[C@H]1OC(=O)C(=C)C11CCCC1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C31H44O4/c1-19(16-28-31(14-5-6-15-31)21(3)29(34)35-28)25-11-12-26-22(8-7-13-30(25,26)4)9-10-23-17-24(32)18-27(33)20(23)2/h9-10,19,24-28,32-33H,2-3,5-8,11-18H2,1,4H3/b22-9+,23-10-/t19-,24-,25-,26+,27+,28-,30-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411105
PNG
(CHEMBL216037)
Show SMILES CCC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C
Show InChI InChI=1S/C30H44O4/c1-6-8-24-20(4)29(33)34-28(24)15-18(2)25-12-13-26-21(9-7-14-30(25,26)5)10-11-22-16-23(31)17-27(32)19(22)3/h10-11,18,23-28,31-32H,3-4,6-9,12-17H2,1-2,5H3/b21-10+,22-11-/t18-,23-,24-,25-,26+,27+,28-,30-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411176
PNG
(CHEMBL383850)
Show SMILES CCC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C
Show InChI InChI=1S/C30H44O4/c1-6-8-24-20(4)29(33)34-28(24)15-18(2)25-12-13-26-21(9-7-14-30(25,26)5)10-11-22-16-23(31)17-27(32)19(22)3/h10-11,18,23-28,31-32H,3-4,6-9,12-17H2,1-2,5H3/b21-10+,22-11-/t18-,23-,24+,25-,26+,27+,28+,30-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411133
PNG
(CHEMBL385705)
Show SMILES C[C@H](C[C@H]1OC(=O)C(=C)[C@@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](OCCCO)[C@H](O)C1=C
Show InChI InChI=1S/C31H46O6/c1-18(16-27-19(2)20(3)30(35)37-27)24-11-12-25-22(8-6-13-31(24,25)5)9-10-23-17-26(33)29(28(34)21(23)4)36-15-7-14-32/h9-10,18-19,24-29,32-34H,3-4,6-8,11-17H2,1-2,5H3/b22-9+,23-10-/t18-,19+,24-,25+,26-,27-,28-,29+,31-/m1/s1
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Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411115
PNG
(CHEMBL217924)
Show SMILES C[C@H](C[C@@H]1OC(=O)C(=C)[C@@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](OCCCO)[C@H](O)C1=C
Show InChI InChI=1S/C31H46O6/c1-18(16-27-19(2)20(3)30(35)37-27)24-11-12-25-22(8-6-13-31(24,25)5)9-10-23-17-26(33)29(28(34)21(23)4)36-15-7-14-32/h9-10,18-19,24-29,32-34H,3-4,6-8,11-17H2,1-2,5H3/b22-9+,23-10-/t18-,19+,24-,25+,26-,27+,28-,29+,31-/m1/s1
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Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411161
PNG
(CHEMBL385205)
Show SMILES C[C@H](C[C@@H]1OC(=O)C(=C)[C@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](OCCCO)[C@H](O)C1=C
Show InChI InChI=1S/C31H46O6/c1-18(16-27-19(2)20(3)30(35)37-27)24-11-12-25-22(8-6-13-31(24,25)5)9-10-23-17-26(33)29(28(34)21(23)4)36-15-7-14-32/h9-10,18-19,24-29,32-34H,3-4,6-8,11-17H2,1-2,5H3/b22-9+,23-10-/t18-,19-,24-,25+,26-,27+,28-,29+,31-/m1/s1
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Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411150
PNG
(CHEMBL387220)
Show SMILES C[C@H](C[C@H]1OC(=O)C(=C)[C@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](OCCCO)[C@H](O)C1=C
Show InChI InChI=1S/C31H46O6/c1-18(16-27-19(2)20(3)30(35)37-27)24-11-12-25-22(8-6-13-31(24,25)5)9-10-23-17-26(33)29(28(34)21(23)4)36-15-7-14-32/h9-10,18-19,24-29,32-34H,3-4,6-8,11-17H2,1-2,5H3/b22-9+,23-10-/t18-,19-,24-,25+,26-,27-,28-,29+,31-/m1/s1
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Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411124
PNG
(CHEMBL217385)
Show SMILES C[C@H](C[C@@H]1OC(=O)C(=C)[C@@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCCO)[C@H](O)C1=C
Show InChI InChI=1S/C31H46O5/c1-18(16-28-19(2)20(3)30(35)36-28)25-12-13-26-22(8-6-14-31(25,26)5)10-11-23-17-27(33)24(9-7-15-32)29(34)21(23)4/h10-11,18-19,24-29,32-34H,3-4,6-9,12-17H2,1-2,5H3/b22-10+,23-11-/t18-,19+,24+,25-,26+,27-,28+,29-,31-/m1/s1
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Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411157
PNG
(CHEMBL215164)
Show SMILES C[C@H](C[C@H]1OC(=O)C(=C)[C@@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCCO)[C@H](O)C1=C
Show InChI InChI=1S/C31H46O5/c1-18(16-28-19(2)20(3)30(35)36-28)25-12-13-26-22(8-6-14-31(25,26)5)10-11-23-17-27(33)24(9-7-15-32)29(34)21(23)4/h10-11,18-19,24-29,32-34H,3-4,6-9,12-17H2,1-2,5H3/b22-10+,23-11-/t18-,19+,24+,25-,26+,27-,28-,29-,31-/m1/s1
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Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411158
PNG
(CHEMBL385707)
Show SMILES C[C@H](C[C@H]1OC(=O)C(=C)[C@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCCO)[C@H](O)C1=C
Show InChI InChI=1S/C31H46O5/c1-18(16-28-19(2)20(3)30(35)36-28)25-12-13-26-22(8-6-14-31(25,26)5)10-11-23-17-27(33)24(9-7-15-32)29(34)21(23)4/h10-11,18-19,24-29,32-34H,3-4,6-9,12-17H2,1-2,5H3/b22-10+,23-11-/t18-,19-,24+,25-,26+,27-,28-,29-,31-/m1/s1
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Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411159
PNG
(CHEMBL214978)
Show SMILES C[C@H](C[C@@H]1OC(=O)C(=C)[C@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCCO)[C@H](O)C1=C
Show InChI InChI=1S/C31H46O5/c1-18(16-28-19(2)20(3)30(35)36-28)25-12-13-26-22(8-6-14-31(25,26)5)10-11-23-17-27(33)24(9-7-15-32)29(34)21(23)4/h10-11,18-19,24-29,32-34H,3-4,6-9,12-17H2,1-2,5H3/b22-10+,23-11-/t18-,19-,24+,25-,26+,27-,28+,29-,31-/m1/s1
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Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411120
PNG
(CHEMBL218565)
Show SMILES CCC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C
Show InChI InChI=1S/C33H50O6/c1-6-9-25-22(4)32(37)39-29(25)18-20(2)26-13-14-27-23(10-7-15-33(26,27)5)11-12-24-19-28(35)31(30(36)21(24)3)38-17-8-16-34/h11-12,20,25-31,34-36H,3-4,6-10,13-19H2,1-2,5H3/b23-11+,24-12-/t20-,25-,26-,27+,28-,29+,30-,31+,33-/m1/s1
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Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411184
PNG
(CHEMBL215239)
Show SMILES CCC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C
Show InChI InChI=1S/C31H46O4/c1-7-9-24-20(4)30(34)35-28(24)16-18(2)25-13-14-26-22(10-8-15-31(25,26)6)11-12-23-17-27(32)21(5)29(33)19(23)3/h11-12,18,21,24-29,32-33H,3-4,7-10,13-17H2,1-2,5-6H3/b22-11+,23-12-/t18-,21+,24-,25-,26+,27-,28+,29-,31-/m1/s1
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Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411183
PNG
(CHEMBL217447)
Show SMILES CCC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C
Show InChI InChI=1S/C31H46O4/c1-7-9-24-20(4)30(34)35-28(24)16-18(2)25-13-14-26-22(10-8-15-31(25,26)6)11-12-23-17-27(32)21(5)29(33)19(23)3/h11-12,18,21,24-29,32-33H,3-4,7-10,13-17H2,1-2,5-6H3/b22-11+,23-12-/t18-,21+,24+,25-,26+,27-,28-,29-,31-/m1/s1
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Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411182
PNG
(CHEMBL387281)
Show SMILES CCC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C
Show InChI InChI=1S/C33H50O6/c1-6-9-25-22(4)32(37)39-29(25)18-20(2)26-13-14-27-23(10-7-15-33(26,27)5)11-12-24-19-28(35)31(30(36)21(24)3)38-17-8-16-34/h11-12,20,25-31,34-36H,3-4,6-10,13-19H2,1-2,5H3/b23-11+,24-12-/t20-,25-,26-,27+,28-,29-,30-,31+,33-/m1/s1
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Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411111
PNG
(CHEMBL385342)
Show SMILES CCC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C
Show InChI InChI=1S/C33H50O5/c1-6-9-25-22(4)32(37)38-30(25)18-20(2)27-14-15-28-23(10-7-16-33(27,28)5)12-13-24-19-29(35)26(11-8-17-34)31(36)21(24)3/h12-13,20,25-31,34-36H,3-4,6-11,14-19H2,1-2,5H3/b23-12+,24-13-/t20-,25+,26+,27-,28+,29-,30+,31-,33-/m1/s1
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Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411110
PNG
(CHEMBL215306)
Show SMILES CCC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C
Show InChI InChI=1S/C33H50O5/c1-6-9-25-22(4)32(37)38-30(25)18-20(2)27-14-15-28-23(10-7-16-33(27,28)5)12-13-24-19-29(35)26(11-8-17-34)31(36)21(24)3/h12-13,20,25-31,34-36H,3-4,6-11,14-19H2,1-2,5H3/b23-12+,24-13-/t20-,25-,26+,27-,28+,29-,30-,31-,33-/m1/s1
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Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411127
PNG
(CHEMBL214500)
Show SMILES CCC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C
Show InChI InChI=1S/C33H50O5/c1-6-9-25-22(4)32(37)38-30(25)18-20(2)27-14-15-28-23(10-7-16-33(27,28)5)12-13-24-19-29(35)26(11-8-17-34)31(36)21(24)3/h12-13,20,25-31,34-36H,3-4,6-11,14-19H2,1-2,5H3/b23-12+,24-13-/t20-,25-,26+,27-,28+,29-,30+,31-,33-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411126
PNG
(CHEMBL384370)
Show SMILES CCC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C
Show InChI InChI=1S/C33H50O5/c1-6-9-25-22(4)32(37)38-30(25)18-20(2)27-14-15-28-23(10-7-16-33(27,28)5)12-13-24-19-29(35)26(11-8-17-34)31(36)21(24)3/h12-13,20,25-31,34-36H,3-4,6-11,14-19H2,1-2,5H3/b23-12+,24-13-/t20-,25+,26+,27-,28+,29-,30-,31-,33-/m1/s1
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MMDB

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UniChem

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PubMed
n/an/a 6.30n/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50411136
PNG
(CHEMBL385926)
Show SMILES CCC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C
Show InChI InChI=1S/C31H46O4/c1-7-9-24-20(4)30(34)35-28(24)16-18(2)25-13-14-26-22(10-8-15-31(25,26)6)11-12-23-17-27(32)21(5)29(33)19(23)3/h11-12,18,21,24-29,32-33H,3-4,7-10,13-17H2,1-2,5-6H3/b22-11+,23-12-/t18-,21+,24-,25-,26+,27-,28-,29-,31-/m1/s1
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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method


J Med Chem 49: 7063-75 (2006)


Article DOI: 10.1021/jm060797q
BindingDB Entry DOI: 10.7270/Q2F47QC9
More data for this
Ligand-Target Pair
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