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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Vitamin D receptor' AND taxid = 9031   
Target
(Institution)
LigandTarget
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 D receptor


(Gallus gallus)
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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0.0250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement from vitamin D receptor in chick intestine : 50% displacement


Bioorg Med Chem Lett 3: 1845-1848 (1993)

More data for this
Ligand-Target Pair
Vitamin D receptor


(Gallus gallus)
BDBM50145539
PNG
((2S,4R)-2,4-Dihydroxy-6-[2-[(R)-1-((R)-5-hydroxy-1...)
Show SMILES C[C@H](CCCC(C)(C)O)C1CCC2C(CCC[C@]12C)=CCC1C[C@@H](O)CC(=O)C1=O
Show InChI InChI=1S/C26H42O4/c1-17(7-5-13-25(2,3)30)21-11-12-22-18(8-6-14-26(21,22)4)9-10-19-15-20(27)16-23(28)24(19)29/h9,17,19-22,27,30H,5-8,10-16H2,1-4H3/t17-,19?,20-,21?,22?,26-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro relative binding affinity for chick intestinal vitamin D3 receptor compared to [3H]-1


Bioorg Med Chem Lett 14: 2579-83 (2004)

More data for this
Ligand-Target Pair
Vitamin D receptor


(Gallus gallus)
BDBM50145538
PNG
((S)-1-Benzyl-5-((R)-2-{(R)-4-[2-[(3S,5R)-3,5-dihyd...)
Show SMILES C[C@H](C[C@H]1C[C@](C)(O)C(=O)N1Cc1ccccc1)C1CCC2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C34H47NO4/c1-22(17-27-20-34(4,39)32(38)35(27)21-24-9-6-5-7-10-24)29-14-15-30-25(11-8-16-33(29,30)3)12-13-26-18-28(36)19-31(37)23(26)2/h5-7,9-10,12-13,22,27-31,36-37,39H,2,8,11,14-21H2,1,3-4H3/b25-12-,26-13+/t22-,27+,28-,29?,30?,31+,33-,34+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro relative binding affinity for chick intestinal vitamin D3 receptor compared to [3H]-1


Bioorg Med Chem Lett 14: 2579-83 (2004)

More data for this
Ligand-Target Pair
Vitamin D receptor


(Gallus gallus)
BDBM50145540
PNG
((S)-5-((R)-2-{(R)-4-[2-[(3S,5R)-3,5-Dihydroxy-2-me...)
Show SMILES C[C@H](C[C@H]1C[C@](C)(O)C(=O)N1C)C1CCC2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C28H43NO4/c1-17(13-21-16-28(4,33)26(32)29(21)5)23-10-11-24-19(7-6-12-27(23,24)3)8-9-20-14-22(30)15-25(31)18(20)2/h8-9,17,21-25,30-31,33H,2,6-7,10-16H2,1,3-5H3/b19-8-,20-9+/t17-,21+,22-,23?,24?,25+,27-,28+/m1/s1
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n/an/a 10.2n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro relative binding affinity for chick intestinal vitamin D3 receptor compared to [3H]-1


Bioorg Med Chem Lett 14: 2579-83 (2004)

More data for this
Ligand-Target Pair
Vitamin D receptor


(Gallus gallus)
BDBM50404242
PNG
(CHEMBL2114211)
Show SMILES C[C@H](C[C@@H]1C[C@@](C)(O)C(=O)N1Cc1ccccc1)C1CCC2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C34H47NO4/c1-22(17-27-20-34(4,39)32(38)35(27)21-24-9-6-5-7-10-24)29-14-15-30-25(11-8-16-33(29,30)3)12-13-26-18-28(36)19-31(37)23(26)2/h5-7,9-10,12-13,22,27-31,36-37,39H,2,8,11,14-21H2,1,3-4H3/b25-12-,26-13+/t22-,27-,28-,29?,30?,31+,33-,34-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro relative binding affinity for chick intestinal vitamin D3 receptor compared to [3H]-1


Bioorg Med Chem Lett 14: 2579-83 (2004)

More data for this
Ligand-Target Pair
Vitamin D receptor


(Gallus gallus)
BDBM50404243
PNG
(CHEMBL2114212)
Show SMILES C[C@H](C[C@@H]1C[C@@](C)(O)C(=O)N1C)C1CCC2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C28H43NO4/c1-17(13-21-16-28(4,33)26(32)29(21)5)23-10-11-24-19(7-6-12-27(23,24)3)8-9-20-14-22(30)15-25(31)18(20)2/h8-9,17,21-25,30-31,33H,2,6-7,10-16H2,1,3-5H3/b19-8-,20-9+/t17-,21-,22-,23?,24?,25+,27-,28-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro relative binding affinity for chick intestinal vitamin D3 receptor compared to [3H]-1


Bioorg Med Chem Lett 14: 2579-83 (2004)

More data for this
Ligand-Target Pair
Vitamin D receptor


(Gallus gallus)
BDBM50404243
PNG
(CHEMBL2114212)
Show SMILES C[C@H](C[C@@H]1C[C@@](C)(O)C(=O)N1C)C1CCC2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C28H43NO4/c1-17(13-21-16-28(4,33)26(32)29(21)5)23-10-11-24-19(7-6-12-27(23,24)3)8-9-20-14-22(30)15-25(31)18(20)2/h8-9,17,21-25,30-31,33H,2,6-7,10-16H2,1,3-5H3/b19-8-,20-9+/t17-,21-,22-,23?,24?,25+,27-,28-/m1/s1
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n/an/a>100n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro relative binding affinity for chick intestinal vitamin D3 receptor compared to [3H]-1


Bioorg Med Chem Lett 14: 2579-83 (2004)

More data for this
Ligand-Target Pair