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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50042771   
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
Androgen receptor


(Mus musculus)
BDBM50430750
PNG
(CHEMBL2334345)
Show SMILES CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C27H42O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,26,28-30H,8-9,16-18H2,1-7H3/t21-,26-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 day...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50430749
PNG
(CHEMBL2334724)
Show SMILES CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C27H40O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,28-29H,8-9,16-18H2,1-7H3/t21-/m1/s1
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n/an/a 113n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 day...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM35909
PNG
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)
Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
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n/an/a 300n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Mus musculus)
BDBM35909
PNG
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)
Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
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n/an/a 1.40E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 day...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Mus musculus)
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 day...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))
BDBM50430749
PNG
(CHEMBL2334724)
Show SMILES CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C27H40O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,28-29H,8-9,16-18H2,1-7H3/t21-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50430757
PNG
(CHEMBL2334342)
Show SMILES CC[Si](CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C27H42O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,26,28-30H,8-9,16-18H2,1-7H3/t21-,26-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50430758
PNG
(CHEMBL1783642)
Show SMILES CC[Si](CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C30H44O4Si/c1-11-35(12-2,23-13-15-25(21(3)17-23)33-19-27(31)29(5,6)7)24-14-16-26(22(4)18-24)34-20-28(32)30(8,9)10/h13-18H,11-12,19-20H2,1-10H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50430755
PNG
(CHEMBL2334344)
Show SMILES CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C27H42O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,26,28-30H,8-9,16-18H2,1-7H3/t21-,26+/m1/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50430750
PNG
(CHEMBL2334345)
Show SMILES CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C27H42O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,26,28-30H,8-9,16-18H2,1-7H3/t21-,26-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50430750
PNG
(CHEMBL2334345)
Show SMILES CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C27H42O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,26,28-30H,8-9,16-18H2,1-7H3/t21-,26-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50430756
PNG
(CHEMBL2334343)
Show SMILES CC[Si](CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C27H42O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,26,28-30H,8-9,16-18H2,1-7H3/t21-,26+/m0/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50430752
PNG
(CHEMBL2334348)
Show SMILES CC[Si](CC)(c1ccc(NC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C27H41NO4Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)28-16-21(30)17-29)23-11-13-25(20(4)15-23)32-18-26(31)27(5,6)7/h10-15,21,28-30H,8-9,16-18H2,1-7H3/t21-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50430751
PNG
(CHEMBL2334349)
Show SMILES CC[Si](CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C27H40O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,28-29H,8-9,16-18H2,1-7H3/t21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50430759
PNG
(CHEMBL2334341)
Show SMILES CC[Si](CC)(c1ccc(OCC2CO2)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C27H38O4Si/c1-8-32(9-2,22-10-12-24(19(3)14-22)30-17-21-16-29-21)23-11-13-25(20(4)15-23)31-18-26(28)27(5,6)7/h10-15,21H,8-9,16-18H2,1-7H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM36721
PNG
(LG190176)
Show SMILES CCC(CC)(c1ccc(OCC2CO2)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H38O4/c1-8-28(9-2,21-10-12-24(19(3)14-21)31-17-23-16-30-23)22-11-13-25(20(4)15-22)32-18-26(29)27(5,6)7/h10-15,23H,8-9,16-18H2,1-7H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM36720
PNG
(LG190155)
Show SMILES CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C31H44O4/c1-11-31(12-2,23-13-15-25(21(3)17-23)34-19-27(32)29(5,6)7)24-14-16-26(22(4)18-24)35-20-28(33)30(8,9)10/h13-18H,11-12,19-20H2,1-10H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50329704
PNG
((R)-3-(4-(3-(4-((R)-2-hydroxy-3,3-dimethylbutoxy)-...)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen 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>1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50430753
PNG
(CHEMBL2334347)
Show SMILES CC[Si](CC)(c1ccc(NC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C27H41NO4Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)28-16-21(30)17-29)23-11-13-25(20(4)15-23)32-18-26(31)27(5,6)7/h10-15,21,28-30H,8-9,16-18H2,1-7H3/t21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50430754
PNG
(CHEMBL2334346)
Show SMILES CC[Si](CC)(c1ccc(O)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C24H36O3Si/c1-8-28(9-2,19-10-12-21(25)17(3)14-19)20-11-13-22(18(4)15-20)27-16-23(26)24(5,6)7/h10-15,23,25-26H,8-9,16H2,1-7H3/t23-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50329704
PNG
((R)-3-(4-(3-(4-((R)-2-hydroxy-3,3-dimethylbutoxy)-...)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26+/m1/s1
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n/an/an/an/a 40n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at VDR (unknown origin) by reporter gene assay


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM36720
PNG
(LG190155)
Show SMILES CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C31H44O4/c1-11-31(12-2,23-13-15-25(21(3)17-23)34-19-27(32)29(5,6)7)24-14-16-26(22(4)18-24)35-20-28(33)30(8,9)10/h13-18H,11-12,19-20H2,1-10H3
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n/an/an/an/a 40n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at VDR (unknown origin) by reporter gene assay


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50430759
PNG
(CHEMBL2334341)
Show SMILES CC[Si](CC)(c1ccc(OCC2CO2)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C27H38O4Si/c1-8-32(9-2,22-10-12-24(19(3)14-22)30-17-21-16-29-21)23-11-13-25(20(4)15-23)31-18-26(28)27(5,6)7/h10-15,21H,8-9,16-18H2,1-7H3
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n/an/an/an/a 40n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at VDR (unknown origin) by reporter gene assay


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
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 3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at CMX-GAL4 tagged human VDR expressed in HEK293 cells assessed as increase in transcriptional activity by luciferase reporter gene ...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair