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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50021096   
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


(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 31n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50220941
PNG
(5-(4-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H50O5/c1-33-18-15-27(36)23-26(33)22-25(32-29(33)16-19-34(2)30(32)17-20-35(34,3)39)9-5-4-8-24-11-13-28(14-12-24)40-21-7-6-10-31(37)38/h11-14,23,25,29-30,32,39H,4-10,15-22H2,1-3H3,(H,37,38)/t25-,29+,30+,32-,33+,34+,35+/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220939
PNG
(6-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H52O5/c1-34-18-15-28(37)24-27(34)23-26(33-30(34)16-19-35(2)31(33)17-20-36(35,3)40)12-7-6-10-25-11-9-13-29(22-25)41-21-8-4-5-14-32(38)39/h9,11,13,22,24,26,30-31,33,40H,4-8,10,12,14-21,23H2,1-3H3,(H,38,39)/t26-,30+,31+,33-,34+,35+,36+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
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 140n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50220934
PNG
(3-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C32H44O5/c1-30-15-11-24(33)20-23(30)19-22(29-26(30)12-16-31(2)27(29)13-17-32(31,3)36)6-4-5-21-7-9-25(10-8-21)37-18-14-28(34)35/h7-10,20,22,26-27,29,36H,4-6,11-19H2,1-3H3,(H,34,35)/t22-,26+,27+,29-,30+,31+,32+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220937
PNG
(8-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-...)
Show SMILES CN(C)C(=O)CCCCCCC[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show InChI InChI=1S/C29H49NO3/c1-28-16-14-22(31)19-21(28)18-20(10-8-6-5-7-9-11-26(33)30(3)4)27-23-12-13-25(32)29(23,2)17-15-24(27)28/h20-21,23-25,27,32H,5-19H2,1-4H3/t20-,21+,23+,24+,25+,27+,28+,29+/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
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 200n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 200n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50220941
PNG
(5-(4-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H50O5/c1-33-18-15-27(36)23-26(33)22-25(32-29(33)16-19-34(2)30(32)17-20-35(34,3)39)9-5-4-8-24-11-13-28(14-12-24)40-21-7-6-10-31(37)38/h11-14,23,25,29-30,32,39H,4-10,15-22H2,1-3H3,(H,37,38)/t25-,29+,30+,32-,33+,34+,35+/m1/s1
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Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220937
PNG
(8-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-...)
Show SMILES CN(C)C(=O)CCCCCCC[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show InChI InChI=1S/C29H49NO3/c1-28-16-14-22(31)19-21(28)18-20(10-8-6-5-7-9-11-26(33)30(3)4)27-23-12-13-25(32)29(23,2)17-15-24(27)28/h20-21,23-25,27,32H,5-19H2,1-4H3/t20-,21+,23+,24+,25+,27+,28+,29+/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220934
PNG
(3-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C32H44O5/c1-30-15-11-24(33)20-23(30)19-22(29-26(30)12-16-31(2)27(29)13-17-32(31,3)36)6-4-5-21-7-9-25(10-8-21)37-18-14-28(34)35/h7-10,20,22,26-27,29,36H,4-6,11-19H2,1-3H3,(H,34,35)/t22-,26+,27+,29-,30+,31+,32+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220936
PNG
(5-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C34H48O5/c1-32-17-14-26(35)22-25(32)21-24(31-28(32)15-18-33(2)29(31)16-19-34(33,3)38)8-6-7-23-10-12-27(13-11-23)39-20-5-4-9-30(36)37/h10-13,22,24,28-29,31,38H,4-9,14-21H2,1-3H3,(H,36,37)/t24-,28+,29+,31-,32+,33+,34+/m1/s1
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Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220945
PNG
(5-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H50O5/c1-33-17-14-27(36)23-26(33)22-25(32-29(33)15-18-34(2)30(32)16-19-35(34,3)39)11-5-4-9-24-10-8-12-28(21-24)40-20-7-6-13-31(37)38/h8,10,12,21,23,25,29-30,32,39H,4-7,9,11,13-20,22H2,1-3H3,(H,37,38)/t25-,29+,30+,32-,33+,34+,35+/m1/s1
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Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220945
PNG
(5-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C35H50O5/c1-33-17-14-27(36)23-26(33)22-25(32-29(33)15-18-34(2)30(32)16-19-35(34,3)39)11-5-4-9-24-10-8-12-28(21-24)40-20-7-6-13-31(37)38/h8,10,12,21,23,25,29-30,32,39H,4-7,9,11,13-20,22H2,1-3H3,(H,37,38)/t25-,29+,30+,32-,33+,34+,35+/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220940
PNG
(10-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C
Show InChI InChI=1S/C29H48O4/c1-28-16-14-22(30)19-21(28)18-20(10-8-6-4-3-5-7-9-11-26(32)33)27-23-12-13-25(31)29(23,2)17-15-24(27)28/h20-21,23-25,27,31H,3-19H2,1-2H3,(H,32,33)/t20-,21+,23+,24+,25+,27+,28+,29+/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220933
PNG
(10-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC(CCCC(F)(F)C(F)(F)F)C(O)=O)C[C@H]1CC(=O)CC[C@]31C
Show InChI InChI=1S/C34H53F5O4/c1-31-18-15-25(40)21-24(31)20-23(29-26-13-14-28(41)32(26,2)19-16-27(29)31)11-8-6-4-3-5-7-10-22(30(42)43)12-9-17-33(35,36)34(37,38)39/h22-24,26-29,41H,3-21H2,1-2H3,(H,42,43)/t22?,23-,24+,26+,27+,28+,29+,31+,32+/m1/s1
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n/an/a 410n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220947
PNG
(6-(4-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H52O5/c1-34-19-16-28(37)24-27(34)23-26(33-30(34)17-20-35(2)31(33)18-21-36(35,3)40)10-7-6-9-25-12-14-29(15-13-25)41-22-8-4-5-11-32(38)39/h12-15,24,26,30-31,33,40H,4-11,16-23H2,1-3H3,(H,38,39)/t26-,30+,31+,33-,34+,35+,36+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220943
PNG
(4-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C33H46O5/c1-31-16-13-25(34)21-24(31)20-23(30-27(31)14-17-32(2)28(30)15-18-33(32,3)37)7-4-6-22-9-11-26(12-10-22)38-19-5-8-29(35)36/h9-12,21,23,27-28,30,37H,4-8,13-20H2,1-3H3,(H,35,36)/t23-,27+,28+,30-,31+,32+,33+/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220939
PNG
(6-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H52O5/c1-34-18-15-28(37)24-27(34)23-26(33-30(34)16-19-35(2)31(33)17-20-36(35,3)40)12-7-6-10-25-11-9-13-29(22-25)41-21-8-4-5-14-32(38)39/h9,11,13,22,24,26,30-31,33,40H,4-8,10,12,14-21,23H2,1-3H3,(H,38,39)/t26-,30+,31+,33-,34+,35+,36+/m1/s1
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n/an/a 530n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220944
PNG
(10-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCCCCCCC(O)=O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C30H48O4/c1-28-16-13-23(31)20-22(28)19-21(11-9-7-5-4-6-8-10-12-26(32)33)27-24(28)14-17-29(2)25(27)15-18-30(29,3)34/h20-21,24-25,27,34H,4-19H2,1-3H3,(H,32,33)/t21-,24+,25+,27-,28+,29+,30+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220938
PNG
(8-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C
Show InChI InChI=1S/C27H44O4/c1-26-14-12-20(28)17-19(26)16-18(8-6-4-3-5-7-9-24(30)31)25-21-10-11-23(29)27(21,2)15-13-22(25)26/h18-19,21-23,25,29H,3-17H2,1-2H3,(H,30,31)/t18-,19+,21+,22+,23+,25+,26+,27+/m1/s1
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n/an/a 660n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220936
PNG
(5-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C34H48O5/c1-32-17-14-26(35)22-25(32)21-24(31-28(32)15-18-33(2)29(31)16-19-34(33,3)38)8-6-7-23-10-12-27(13-11-23)39-20-5-4-9-30(36)37/h10-13,22,24,28-29,31,38H,4-9,14-21H2,1-3H3,(H,36,37)/t24-,28+,29+,31-,32+,33+,34+/m1/s1
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n/an/a 660n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220943
PNG
(4-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C33H46O5/c1-31-16-13-25(34)21-24(31)20-23(30-27(31)14-17-32(2)28(30)15-18-33(32,3)37)7-4-6-22-9-11-26(12-10-22)38-19-5-8-29(35)36/h9-12,21,23,27-28,30,37H,4-8,13-20H2,1-3H3,(H,35,36)/t23-,27+,28+,30-,31+,32+,33+/m1/s1
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n/an/a 660n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220935
PNG
(4-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C34H48O5/c1-32-16-13-26(35)22-25(32)21-24(31-28(32)14-17-33(2)29(31)15-18-34(33,3)38)10-5-4-8-23-9-6-11-27(20-23)39-19-7-12-30(36)37/h6,9,11,20,22,24,28-29,31,38H,4-5,7-8,10,12-19,21H2,1-3H3,(H,36,37)/t24-,28+,29+,31-,32+,33+,34+/m1/s1
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n/an/a 670n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220938
PNG
(8-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C
Show InChI InChI=1S/C27H44O4/c1-26-14-12-20(28)17-19(26)16-18(8-6-4-3-5-7-9-24(30)31)25-21-10-11-23(29)27(21,2)15-13-22(25)26/h18-19,21-23,25,29H,3-17H2,1-2H3,(H,30,31)/t18-,19+,21+,22+,23+,25+,26+,27+/m1/s1
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n/an/a 730n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220942
PNG
(4-(4-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C34H48O5/c1-32-17-14-26(35)22-25(32)21-24(31-28(32)15-18-33(2)29(31)16-19-34(33,3)38)8-5-4-7-23-10-12-27(13-11-23)39-20-6-9-30(36)37/h10-13,22,24,28-29,31,38H,4-9,14-21H2,1-3H3,(H,36,37)/t24-,28+,29+,31-,32+,33+,34+/m1/s1
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n/an/a 850n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220940
PNG
(10-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C
Show InChI InChI=1S/C29H48O4/c1-28-16-14-22(30)19-21(28)18-20(10-8-6-4-3-5-7-9-11-26(32)33)27-23-12-13-25(31)29(23,2)17-15-24(27)28/h20-21,23-25,27,31H,3-19H2,1-2H3,(H,32,33)/t20-,21+,23+,24+,25+,27+,28+,29+/m1/s1
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n/an/a 920n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220935
PNG
(4-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C34H48O5/c1-32-16-13-26(35)22-25(32)21-24(31-28(32)14-17-33(2)29(31)15-18-34(33,3)38)10-5-4-8-23-9-6-11-27(20-23)39-19-7-12-30(36)37/h6,9,11,20,22,24,28-29,31,38H,4-5,7-8,10,12-19,21H2,1-3H3,(H,36,37)/t24-,28+,29+,31-,32+,33+,34+/m1/s1
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n/an/a 920n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220944
PNG
(10-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCCCCCCC(O)=O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C30H48O4/c1-28-16-13-23(31)20-22(28)19-21(11-9-7-5-4-6-8-10-12-26(32)33)27-24(28)14-17-29(2)25(27)15-18-30(29,3)34/h20-21,24-25,27,34H,4-19H2,1-3H3,(H,32,33)/t21-,24+,25+,27-,28+,29+,30+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220946
PNG
(4-(3-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4cccc(OCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C33H46O5/c1-31-15-12-25(34)21-24(31)20-23(30-27(31)13-16-32(2)28(30)14-17-33(32,3)37)9-4-7-22-8-5-10-26(19-22)38-18-6-11-29(35)36/h5,8,10,19,21,23,27-28,30,37H,4,6-7,9,11-18,20H2,1-3H3,(H,35,36)/t23-,27+,28+,30-,31+,32+,33+/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220933
PNG
(10-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC(CCCC(F)(F)C(F)(F)F)C(O)=O)C[C@H]1CC(=O)CC[C@]31C
Show InChI InChI=1S/C34H53F5O4/c1-31-18-15-25(40)21-24(31)20-23(29-26-13-14-28(41)32(26,2)19-16-27(29)31)11-8-6-4-3-5-7-10-22(30(42)43)12-9-17-33(35,36)34(37,38)39/h22-24,26-29,41H,3-21H2,1-2H3,(H,42,43)/t22?,23-,24+,26+,27+,28+,29+,31+,32+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...


Bioorg Med Chem Lett 17: 5573-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.090
BindingDB Entry DOI: 10.7270/Q29S1QQT
More data for this
Ligand-Target Pair