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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Vitamin D receptor' AND taxid = 10090   
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


(Mus musculus)
BDBM50244164
PNG
((20S)-1-alpha-25-Dihydroxy-2-alpha-(2-hydroxyethox...)
Show SMILES CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1
Show InChI InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19-,23-,24+,25+,26?,27+/m0/s1
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n/an/an/an/a 0.0270n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50244269
PNG
((20R)-1-alpha-2-alpha-25-Trihydroxy-2-beta-methyl-...)
Show SMILES CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)(O)[C@H](O)C1
Show InChI InChI=1S/C27H44O4S/c1-6-27(31,7-2)17-32-18(3)21-12-13-22-20(9-8-14-25(21,22)4)11-10-19-15-23(28)26(5,30)24(29)16-19/h10-12,18,22-24,28-31H,6-9,13-17H2,1-5H3/b19-10-,20-11+/t18-,22+,23-,24-,25-,26?/m1/s1
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n/an/an/an/a 0.120n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50244240
PNG
((20S)-(2E)-1-alpha-25-Dihydroxy-2-[2-(hydroxy)-eth...)
Show SMILES CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=CCO)[C@H](O)C1
Show InChI InChI=1S/C28H44O4S/c1-5-28(32,6-2)18-33-19(3)23-11-12-24-21(8-7-14-27(23,24)4)10-9-20-16-25(30)22(13-15-29)26(31)17-20/h9-11,13,19,24-26,29-32H,5-8,12,14-18H2,1-4H3/b20-9-,21-10+,22-13+/t19-,24-,25+,26+,27+/m0/s1
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n/an/an/an/a 0.0850n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50412385
PNG
(CHEMBL2021488)
Show SMILES CCCOC1[C@H](O)CC(C[C@H]1O)=C\C=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCCC(O)(CC)CC
Show InChI InChI=1S/C31H52O4S/c1-6-18-35-29-27(32)20-23(21-28(29)33)12-13-24-11-9-16-30(5)25(14-15-26(24)30)22(4)36-19-10-17-31(34,7-2)8-3/h12-14,22,26-29,32-34H,6-11,15-21H2,1-5H3/b23-12-,24-13+/t22?,26?,27-,28-,29?,30-/m1/s1
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n/an/an/an/a 0.0900n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50412386
PNG
(CHEMBL2021486)
Show SMILES CCCOC1[C@H](O)CC(C[C@H]1O)=C\C=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCC(O)(CC)CC
Show InChI InChI=1S/C30H50O4S/c1-6-17-34-28-26(31)19-22(20-27(28)32)11-12-23-10-9-15-29(5)24(13-14-25(23)29)21(4)35-18-16-30(33,7-2)8-3/h11-13,21,25-28,31-33H,6-10,14-20H2,1-5H3/b22-11-,23-12+/t21?,25?,26-,27-,28?,29-/m1/s1
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n/an/an/an/a 0.0300n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50244240
PNG
((20S)-(2E)-1-alpha-25-Dihydroxy-2-[2-(hydroxy)-eth...)
Show SMILES CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=CCO)[C@H](O)C1
Show InChI InChI=1S/C28H44O4S/c1-5-28(32,6-2)18-33-19(3)23-11-12-24-21(8-7-14-27(23,24)4)10-9-20-16-25(30)22(13-15-29)26(31)17-20/h9-11,13,19,24-26,29-32H,5-8,12,14-18H2,1-4H3/b20-9-,21-10+,22-13+/t19-,24-,25+,26+,27+/m0/s1
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n/an/an/an/a 0.0260n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50412385
PNG
(CHEMBL2021488)
Show SMILES CCCOC1[C@H](O)CC(C[C@H]1O)=C\C=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCCC(O)(CC)CC
Show InChI InChI=1S/C31H52O4S/c1-6-18-35-29-27(32)20-23(21-28(29)33)12-13-24-11-9-16-30(5)25(14-15-26(24)30)22(4)36-19-10-17-31(34,7-2)8-3/h12-14,22,26-29,32-34H,6-11,15-21H2,1-5H3/b23-12-,24-13+/t22?,26?,27-,28-,29?,30-/m1/s1
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n/an/an/an/a 0.0900n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50005618
PNG
(CHEMBL2021484)
Show SMILES CCC(O)(CC)CSC(C)C1=CCC2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1
Show InChI InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19?,23?,24-,25-,26-,27-/m1/s1
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n/an/an/an/a 0.00210n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50412386
PNG
(CHEMBL2021486)
Show SMILES CCCOC1[C@H](O)CC(C[C@H]1O)=C\C=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCC(O)(CC)CC
Show InChI InChI=1S/C30H50O4S/c1-6-17-34-28-26(31)19-22(20-27(28)32)11-12-23-10-9-15-29(5)24(13-14-25(23)29)21(4)35-18-16-30(33,7-2)8-3/h11-13,21,25-28,31-33H,6-10,14-20H2,1-5H3/b22-11-,23-12+/t21?,25?,26-,27-,28?,29-/m1/s1
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n/an/an/an/a 0.0580n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50244241
PNG
((20R)-(2E)-1-alpha-25-Dihydroxy-2-[2-(hydroxy)-eth...)
Show SMILES CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=CCO)[C@H](O)C1
Show InChI InChI=1S/C28H44O4S/c1-5-28(32,6-2)18-33-19(3)23-11-12-24-21(8-7-14-27(23,24)4)10-9-20-16-25(30)22(13-15-29)26(31)17-20/h9-11,13,19,24-26,29-32H,5-8,12,14-18H2,1-4H3/b20-9-,21-10+,22-13+/t19-,24+,25-,26-,27-/m1/s1
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n/an/an/an/a 0.0290n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50244165
PNG
((1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybut...)
Show SMILES CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1
Show InChI InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19-,23+,24-,25-,26?,27-/m1/s1
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n/an/an/an/a 0.115n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50244268
PNG
((20S)-1-alpha-2-alpha-25-Trihydroxy-2beta-methyl-1...)
Show SMILES CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)(O)[C@H](O)C1
Show InChI InChI=1S/C27H44O4S/c1-6-27(31,7-2)17-32-18(3)21-12-13-22-20(9-8-14-25(21,22)4)11-10-19-15-23(28)26(5,30)24(29)16-19/h10-12,18,22-24,28-31H,6-9,13-17H2,1-5H3/b19-10-,20-11+/t18-,22-,23+,24+,25+,26?/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50244269
PNG
((20R)-1-alpha-2-alpha-25-Trihydroxy-2-beta-methyl-...)
Show SMILES CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)(O)[C@H](O)C1
Show InChI InChI=1S/C27H44O4S/c1-6-27(31,7-2)17-32-18(3)21-12-13-22-20(9-8-14-25(21,22)4)11-10-19-15-23(28)26(5,30)24(29)16-19/h10-12,18,22-24,28-31H,6-9,13-17H2,1-5H3/b19-10-,20-11+/t18-,22+,23-,24-,25-,26?/m1/s1
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n/an/an/an/a 4.5n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50244241
PNG
((20R)-(2E)-1-alpha-25-Dihydroxy-2-[2-(hydroxy)-eth...)
Show SMILES CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=CCO)[C@H](O)C1
Show InChI InChI=1S/C28H44O4S/c1-5-28(32,6-2)18-33-19(3)23-11-12-24-21(8-7-14-27(23,24)4)10-9-20-16-25(30)22(13-15-29)26(31)17-20/h9-11,13,19,24-26,29-32H,5-8,12,14-18H2,1-4H3/b20-9-,21-10+,22-13+/t19-,24+,25-,26-,27-/m1/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
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50244165
PNG
((1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybut...)
Show SMILES CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1
Show InChI InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19-,23+,24-,25-,26?,27-/m1/s1
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n/an/an/an/a 0.0240n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D receptor


(Mus musculus)
BDBM50244268
PNG
((20S)-1-alpha-2-alpha-25-Trihydroxy-2beta-methyl-1...)
Show SMILES CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)(O)[C@H](O)C1
Show InChI InChI=1S/C27H44O4S/c1-6-27(31,7-2)17-32-18(3)21-12-13-22-20(9-8-14-25(21,22)4)11-10-19-15-23(28)26(5,30)24(29)16-19/h10-12,18,22-24,28-31H,6-9,13-17H2,1-5H3/b19-10-,20-11+/t18-,22-,23+,24+,25+,26?/m0/s1
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n/an/an/an/a 0.0170n/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay


Citation and Details
More data for this
Ligand-Target Pair