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PubMed code 26206427

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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


(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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Article
PubMed
0.100n/an/an/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-1alpha25-(OH)2D3 from full length recombinant rat vitamin D receptor by scintillation counting analysis


J Med Chem 58: 6237-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00795
BindingDB Entry DOI: 10.7270/Q2H133S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vitamin D3 receptor


(Rattus norvegicus)
BDBM50104639
PNG
(CHEMBL3593364)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([H])\[#6](=[#6]\[#6]=[#6]-3/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-3)-[#6@@H](-[#6])-[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6]C([#6])([#6])[#8] |r|
Show InChI InChI=1S/C27H46O3/c1-18-12-14-27(5)24(19(2)7-6-13-26(3,4)30)10-11-25(27)23(18)9-8-20-15-21(28)17-22(29)16-20/h8-9,18-19,21-22,24-25,28-30H,6-7,10-17H2,1-5H3/b23-9+/t18-,19+,21+,22+,24+,25-,27+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-1alpha25-(OH)2D3 from full length recombinant rat vitamin D receptor by scintillation counting analysis


J Med Chem 58: 6237-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00795
BindingDB Entry DOI: 10.7270/Q2H133S9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Rattus norvegicus)
BDBM50104641
PNG
(CHEMBL3593366)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([H])\[#6](=[#6]\[#6]=[#6]-3/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-3)-[#6](=[#6])-[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6]C([#6])([#6])[#8] |r|
Show InChI InChI=1S/C27H44O3/c1-18-12-14-27(5)24(19(2)7-6-13-26(3,4)30)10-11-25(27)23(18)9-8-20-15-21(28)17-22(29)16-20/h8-9,19,21-22,24-25,28-30H,1,6-7,10-17H2,2-5H3/b23-9+/t19-,21-,22-,24-,25+,27-/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-1alpha25-(OH)2D3 from full length recombinant rat vitamin D receptor by scintillation counting analysis


J Med Chem 58: 6237-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00795
BindingDB Entry DOI: 10.7270/Q2H133S9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Rattus norvegicus)
BDBM50104640
PNG
(CHEMBL3593365)
Show SMILES [H][C@@]1(CC[C@@]2([H])\C(=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)[C@H](C)CC[C@]12C)[C@H](C)CCCC(C)(C)O |r|
Show InChI InChI=1S/C28H46O3/c1-18-13-15-28(6)24(19(2)8-7-14-27(4,5)31)11-12-25(28)23(18)10-9-21-16-22(29)17-26(30)20(21)3/h9-10,18-19,22,24-26,29-31H,3,7-8,11-17H2,1-2,4-6H3/b21-9-,23-10+/t18-,19-,22-,24-,25+,26+,28-/m1/s1
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PubMed
20n/an/an/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-1alpha25-(OH)2D3 from full length recombinant rat vitamin D receptor by scintillation counting analysis


J Med Chem 58: 6237-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00795
BindingDB Entry DOI: 10.7270/Q2H133S9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Rattus norvegicus)
BDBM50104642
PNG
(CHEMBL3593367)
Show SMILES [H][C@@]1(CC[C@@]2([H])\C(=C\C=C3\C[C@@H](O)C[C@H](O)[C@H]3C)C(=C)CC[C@]12C)[C@H](C)CCCC(C)(C)O |r|
Show InChI InChI=1S/C28H46O3/c1-18-13-15-28(6)24(19(2)8-7-14-27(4,5)31)11-12-25(28)23(18)10-9-21-16-22(29)17-26(30)20(21)3/h9-10,19-20,22,24-26,29-31H,1,7-8,11-17H2,2-6H3/b21-9-,23-10+/t19-,20+,22-,24-,25+,26+,28-/m1/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-1alpha25-(OH)2D3 from full length recombinant rat vitamin D receptor by scintillation counting analysis


J Med Chem 58: 6237-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00795
BindingDB Entry DOI: 10.7270/Q2H133S9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Rattus norvegicus)
BDBM50104643
PNG
(CHEMBL3593368)
Show SMILES [H][C@@]1(CC[C@@]2([H])\C(=C\C=C3\C[C@@H](O)C[C@H](O)[C@@H]3C)C(=C)CC[C@]12C)[C@H](C)CCCC(C)(C)O |r|
Show InChI InChI=1S/C28H46O3/c1-18-13-15-28(6)24(19(2)8-7-14-27(4,5)31)11-12-25(28)23(18)10-9-21-16-22(29)17-26(30)20(21)3/h9-10,19-20,22,24-26,29-31H,1,7-8,11-17H2,2-6H3/b21-9-,23-10+/t19-,20-,22-,24-,25+,26+,28-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-1alpha25-(OH)2D3 from full length recombinant rat vitamin D receptor by scintillation counting analysis


J Med Chem 58: 6237-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00795
BindingDB Entry DOI: 10.7270/Q2H133S9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Rattus norvegicus)
BDBM50104644
PNG
(CHEMBL3593369)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([H])\[#6](=[#6]\[#6]=[#6]-3/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-3)\[#6](\[#6]-[#6][C@]12[#6])=[#6]\[#6])[#6@H](-[#6])-[#6]-[#6]-[#6]C([#6])([#6])[#8] |r|
Show InChI InChI=1S/C28H46O3/c1-6-21-13-15-28(5)25(19(2)8-7-14-27(3,4)31)11-12-26(28)24(21)10-9-20-16-22(29)18-23(30)17-20/h6,9-10,19,22-23,25-26,29-31H,7-8,11-18H2,1-5H3/b21-6+,24-10+/t19-,22-,23-,25-,26+,28-/m1/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-1alpha25-(OH)2D3 from full length recombinant rat vitamin D receptor by scintillation counting analysis


J Med Chem 58: 6237-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00795
BindingDB Entry DOI: 10.7270/Q2H133S9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%