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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50039306   
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)
BDBM50329706
PNG
((2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimet...)
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 |r|
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-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329707
PNG
((S)-3-(4-(3-(4-((S)-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+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
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 14n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329702
PNG
((R)-1-(4-(3-(4-(2,3-dihydroxypropoxy)-3-methylphen...)
Show SMILES CCC(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/C28H40O5/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/h10-15,23,29-30H,8-9,16-18H2,1-7H3/t23-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329703
PNG
((S)-1-(4-(3-(4-(2,3-dihydroxypropoxy)-3-methylphen...)
Show SMILES CCC(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/C28H40O5/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/h10-15,23,29-30H,8-9,16-18H2,1-7H3/t23-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329705
PNG
((R)-3-(4-(3-(4-((S)-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 68n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329715
PNG
((2S)-3-(4-(3-(4-(2-hydroxy-3,3-dimethyl-6-phenylhe...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCCc2ccccc2)c(C)c1 |r|
Show InChI InChI=1S/C36H50O5/c1-7-36(8-2,29-16-18-32(26(3)21-29)40-24-31(38)23-37)30-17-19-33(27(4)22-30)41-25-34(39)35(5,6)20-12-15-28-13-10-9-11-14-28/h9-11,13-14,16-19,21-22,31,34,37-39H,7-8,12,15,20,23-25H2,1-6H3/t31-,34?/m0/s1
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n/an/a 130n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
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 670n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Mus musculus)
BDBM50329714
PNG
((2S)-3-(4-(3-(4-(2-hydroxy-3,3-dimethyl-5-phenylpe...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCc2ccccc2)c(C)c1 |r|
Show InChI InChI=1S/C35H48O5/c1-7-35(8-2,28-14-16-31(25(3)20-28)39-23-30(37)22-36)29-15-17-32(26(4)21-29)40-24-33(38)34(5,6)19-18-27-12-10-9-11-13-27/h9-17,20-21,30,33,36-38H,7-8,18-19,22-24H2,1-6H3/t30-,33?/m0/s1
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n/an/a 880n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329708
PNG
((S)-1-(4-(3-(4-(2,3-dihydroxypropoxy)-3-methylphen...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)CCc2ccccc2)c(C)c1 |r|
Show InChI InChI=1S/C35H46O5/c1-7-35(8-2,28-14-16-31(25(3)20-28)39-23-30(37)22-36)29-15-17-32(26(4)21-29)40-24-33(38)34(5,6)19-18-27-12-10-9-11-13-27/h9-17,20-21,30,36-37H,7-8,18-19,22-24H2,1-6H3/t30-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329713
PNG
((2S)-3-(4-(3-(4-(2-hydroxy-3,3-dimethyl-4-phenylbu...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)Cc2ccccc2)c(C)c1 |r|
Show InChI InChI=1S/C34H46O5/c1-7-34(8-2,27-14-16-30(24(3)18-27)38-22-29(36)21-35)28-15-17-31(25(4)19-28)39-23-32(37)33(5,6)20-26-12-10-9-11-13-26/h9-19,29,32,35-37H,7-8,20-23H2,1-6H3/t29-,32?/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329709
PNG
((S)-1-(4-(3-(4-(2,3-dihydroxypropoxy)-3-methylphen...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)CCCc2ccccc2)c(C)c1 |r|
Show InChI InChI=1S/C36H48O5/c1-7-36(8-2,29-16-18-32(26(3)21-29)40-24-31(38)23-37)30-17-19-33(27(4)22-30)41-25-34(39)35(5,6)20-12-15-28-13-10-9-11-14-28/h9-11,13-14,16-19,21-22,31,37-38H,7-8,12,15,20,23-25H2,1-6H3/t31-/m0/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329721
PNG
((2S)-3-(4-(3-(4-(1-benzyl-4-hydroxypyrrolidin-3-yl...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(Cc3ccccc3)C[C@@H]2O)c(C)c1 |r|
Show InChI InChI=1S/C33H43NO5/c1-5-33(6-2,26-12-14-30(23(3)16-26)38-22-28(36)21-35)27-13-15-31(24(4)17-27)39-32-20-34(19-29(32)37)18-25-10-8-7-9-11-25/h7-17,28-29,32,35-37H,5-6,18-22H2,1-4H3/t28-,29-,32+/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
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329719
PNG
(CHEMBL1271259)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C23CC4CC(CC(C4)C2)C3)c(C)c1 |r,THB:24:26:29:33.32.31,34:26:29:33.32.31,34:32:26.27.35:29,31:30:27:33.32.34,31:32:27:35.29.30|
Show InChI InChI=1S/C34H48O5/c1-5-34(6-2,27-7-9-30(22(3)11-27)38-20-29(36)19-35)28-8-10-31(23(4)12-28)39-21-32(37)33-16-24-13-25(17-33)15-26(14-24)18-33/h7-12,24-26,29,32,35-37H,5-6,13-21H2,1-4H3/t24?,25?,26?,29-,32?,33?/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
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329720
PNG
((2S)-3-(4-(3-(4-(2-hydroxy-3,3-dimethyl-4-(naphtha...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)Cc2ccc3ccccc3c2)c(C)c1 |r|
Show InChI InChI=1S/C38H48O5/c1-7-38(8-2,31-15-17-34(26(3)19-31)42-24-33(40)23-39)32-16-18-35(27(4)20-32)43-25-36(41)37(5,6)22-28-13-14-29-11-9-10-12-30(29)21-28/h9-21,33,36,39-41H,7-8,22-25H2,1-6H3/t33-,36?/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
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329717
PNG
((S)-1-(4-(3-(4-(2,3-dihydroxypropoxy)-3-methylphen...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)Cc2ccccc2)c(C)c1 |r|
Show InChI InChI=1S/C34H44O5/c1-7-34(8-2,27-14-16-30(24(3)18-27)38-22-29(36)21-35)28-15-17-31(25(4)19-28)39-23-32(37)33(5,6)20-26-12-10-9-11-13-26/h9-19,29,35-36H,7-8,20-23H2,1-6H3/t29-/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
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329718
PNG
((2S)-3-(4-(3-(4-(2-hydroxy-3,3-dimethyl-7-phenylhe...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCCCc2ccccc2)c(C)c1 |r|
Show InChI InChI=1S/C37H52O5/c1-7-37(8-2,30-17-19-33(27(3)22-30)41-25-32(39)24-38)31-18-20-34(28(4)23-31)42-26-35(40)36(5,6)21-13-12-16-29-14-10-9-11-15-29/h9-11,14-15,17-20,22-23,32,35,38-40H,7-8,12-13,16,21,24-26H2,1-6H3/t32-,35?/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
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329716
PNG
(CHEMBL1269466 | benzyl 3-(4-(3-(4-((S)-2,3-dihydro...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(C[C@@H]2O)C(=O)OCc2ccccc2)c(C)c1 |r|
Show InChI InChI=1S/C34H43NO7/c1-5-34(6-2,26-12-14-30(23(3)16-26)40-22-28(37)20-36)27-13-15-31(24(4)17-27)42-32-19-35(18-29(32)38)33(39)41-21-25-10-8-7-9-11-25/h7-17,28-29,32,36-38H,5-6,18-22H2,1-4H3/t28-,29-,32+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329711
PNG
(CHEMBL1270848)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 |r,TLB:29:30:27.28.33:34,THB:29:28:34:35.30.31,31:30:27:33.32.34,31:32:27:35.29.30|
Show InChI InChI=1S/C34H46O5/c1-5-34(6-2,27-7-9-30(22(3)11-27)38-20-29(36)19-35)28-8-10-31(23(4)12-28)39-21-32(37)33-16-24-13-25(17-33)15-26(14-24)18-33/h7-12,24-26,29,35-36H,5-6,13-21H2,1-4H3/t24?,25?,26?,29-,33?/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329710
PNG
((S)-1-(4-(3-(4-(2,3-dihydroxypropoxy)-3-methylphen...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)CCCCc2ccccc2)c(C)c1 |r|
Show InChI InChI=1S/C37H50O5/c1-7-37(8-2,30-17-19-33(27(3)22-30)41-25-32(39)24-38)31-18-20-34(28(4)23-31)42-26-35(40)36(5,6)21-13-12-16-29-14-10-9-11-15-29/h9-11,14-15,17-20,22-23,32,38-39H,7-8,12-13,16,21,24-26H2,1-6H3/t32-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329712
PNG
((S)-1-(4-(3-(4-(2,3-dihydroxypropoxy)-3-methylphen...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)Cc2ccc3ccccc3c2)c(C)c1 |r|
Show InChI InChI=1S/C38H46O5/c1-7-38(8-2,31-15-17-34(26(3)19-31)42-24-33(40)23-39)32-16-18-35(27(4)20-32)43-25-36(41)37(5,6)22-28-13-14-29-11-9-10-12-30(29)21-28/h9-21,33,39-40H,7-8,22-25H2,1-6H3/t33-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair