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PubMed code 22094279

Compile data set for download or QSAR
Found 75 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
Androgen receptor


(Homo sapiens (Human))		BDBM50360442
PNG
(CHEMBL1934442)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H17N3/c1-15-20(13-23)21(19-10-8-17(12-22)9-11-19)16(2)24(15)14-18-6-4-3-5-7-18/h3-11H,14H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))		BDBM50360443
PNG
(CHEMBL1934443)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1cccnc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H16N4/c1-14-19(11-22)20(18-7-5-16(10-21)6-8-18)15(2)24(14)13-17-4-3-9-23-12-17/h3-9,12H,13H2,1-2H3
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n/an/a 3.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360441
PNG
(CHEMBL1934441)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O2/c1-14-20(17-9-10-18(12-27)19(11-17)23(24,25)26)21(22(29)30-3)15(2)28(14)13-16-7-5-4-6-8-16/h4-11H,13H2,1-3H3
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n/an/a 3.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360434
PNG
(CHEMBL1934434)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H20N2O4/c1-14-19(17-9-11-18(12-10-17)23(25)26)20(21(24)27-3)15(2)22(14)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360429
PNG
(CHEMBL1934430)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N2O4/c1-4-28-22(25)21-16(3)23(14-17-8-6-5-7-9-17)15(2)20(21)18-10-12-19(13-11-18)24(26)27/h5-13H,4,14H2,1-3H3
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n/an/a 5.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360438
PNG
(CHEMBL1934438)
Show SMILES Cc1cc(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H18N2O2/c1-14-12-19(17-8-10-18(11-9-17)21(22)23)15(2)20(14)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
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n/an/a 6.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360444
PNG
(CHEMBL1934444)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1ccc(Cl)nc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H15ClN4/c1-13-18(10-23)20(17-6-3-15(9-22)4-7-17)14(2)25(13)12-16-5-8-19(21)24-11-16/h3-8,11H,12H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360445
PNG
(CHEMBL1934445)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1cncc(CO)c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H18N4O/c1-14-20(9-23)21(19-5-3-16(8-22)4-6-19)15(2)25(14)12-17-7-18(13-26)11-24-10-17/h3-7,10-11,26H,12-13H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360426
PNG
(CHEMBL1934427)
Show SMILES CCOC(=O)c1c(C)[nH]c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H16N2O4/c1-4-21-15(18)14-10(3)16-9(2)13(14)11-5-7-12(8-6-11)17(19)20/h5-8,16H,4H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360446
PNG
(CHEMBL1934446)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H17ClN4O/c1-13-19(9-24)20(17-5-3-15(8-23)4-6-17)14(2)26(13)11-16-7-18(12-27)21(22)25-10-16/h3-7,10,27H,11-12H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360440
PNG
(CHEMBL1934440)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H20N2O2/c1-15-20(19-11-9-17(13-23)10-12-19)21(22(25)26-3)16(2)24(15)14-18-7-5-4-6-8-18/h4-12H,14H2,1-3H3
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n/an/a 27n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360446
PNG
(CHEMBL1934446)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H17ClN4O/c1-13-19(9-24)20(17-5-3-15(8-23)4-6-17)14(2)26(13)11-16-7-18(12-27)21(22)25-10-16/h3-7,10,27H,11-12H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360442
PNG
(CHEMBL1934442)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H17N3/c1-15-20(13-23)21(19-10-8-17(12-22)9-11-19)16(2)24(15)14-18-6-4-3-5-7-18/h3-11H,14H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360444
PNG
(CHEMBL1934444)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1ccc(Cl)nc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H15ClN4/c1-13-18(10-23)20(17-6-3-15(9-22)4-7-17)14(2)25(13)12-16-5-8-19(21)24-11-16/h3-8,11H,12H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360427
PNG
(CHEMBL1934428)
Show SMILES CCOC(=O)c1c(C)n(C)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H18N2O4/c1-5-22-16(19)15-11(3)17(4)10(2)14(15)12-6-8-13(9-7-12)18(20)21/h6-9H,5H2,1-4H3
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n/an/a 47n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
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 54n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))		BDBM50360443
PNG
(CHEMBL1934443)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1cccnc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H16N4/c1-14-19(11-22)20(18-7-5-16(10-21)6-8-18)15(2)24(14)13-17-4-3-9-23-12-17/h3-9,12H,13H2,1-2H3
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n/an/a 65n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360448
PNG
(CHEMBL1934448)
Show SMILES Cc1c(C#N)c(cn1Cc1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H15ClN4O/c1-13-18(8-23)19(16-4-2-14(7-22)3-5-16)11-25(13)10-15-6-17(12-26)20(21)24-9-15/h2-6,9,11,26H,10,12H2,1H3
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n/an/a 78n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360445
PNG
(CHEMBL1934445)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1cncc(CO)c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H18N4O/c1-14-20(9-23)21(19-5-3-16(8-22)4-6-19)15(2)25(14)12-17-7-18(13-26)11-24-10-17/h3-7,10-11,26H,12-13H2,1-2H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360439
PNG
(CHEMBL1934439)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccccc1
Show InChI InChI=1S/C21H21NO2/c1-15-19(18-12-8-5-9-13-18)20(21(23)24-3)16(2)22(15)14-17-10-6-4-7-11-17/h4-13H,14H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360433
PNG
(CHEMBL1934433)
Show SMILES CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H20N2O6S/c1-4-29-21(24)20-15(3)22(30(27,28)18-8-6-5-7-9-18)14(2)19(20)16-10-12-17(13-11-16)23(25)26/h5-13H,4H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360432
PNG
(CHEMBL1934432)
Show SMILES CCOC(=O)c1c(C)n(C(=O)c2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H20N2O5/c1-4-29-22(26)20-15(3)23(21(25)17-8-6-5-7-9-17)14(2)19(20)16-10-12-18(13-11-16)24(27)28/h5-13H,4H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360431
PNG
(CHEMBL1933081)
Show SMILES CCOC(=O)c1c(C)n(CCc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H24N2O4/c1-4-29-23(26)22-17(3)24(15-14-18-8-6-5-7-9-18)16(2)21(22)19-10-12-20(13-11-19)25(27)28/h5-13H,4,14-15H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360448
PNG
(CHEMBL1934448)
Show SMILES Cc1c(C#N)c(cn1Cc1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H15ClN4O/c1-13-18(8-23)19(16-4-2-14(7-22)3-5-16)11-25(13)10-15-6-17(12-26)20(21)24-9-15/h2-6,9,11,26H,10,12H2,1H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360426
PNG
(CHEMBL1934427)
Show SMILES CCOC(=O)c1c(C)[nH]c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H16N2O4/c1-4-21-15(18)14-10(3)16-9(2)13(14)11-5-7-12(8-6-11)17(19)20/h5-8,16H,4H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360440
PNG
(CHEMBL1934440)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H20N2O2/c1-15-20(19-11-9-17(13-23)10-12-19)21(22(25)26-3)16(2)24(15)14-18-7-5-4-6-8-18/h4-12H,14H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360434
PNG
(CHEMBL1934434)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H20N2O4/c1-14-19(17-9-11-18(12-10-17)23(25)26)20(21(24)27-3)15(2)22(14)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360436
PNG
(CHEMBL1934436)
Show SMILES Cc1c(CO)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H20N2O3/c1-14-19(13-23)20(17-8-10-18(11-9-17)22(24)25)15(2)21(14)12-16-6-4-3-5-7-16/h3-11,23H,12-13H2,1-2H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360430
PNG
(CHEMBL1934431)
Show SMILES CCOC(=O)c1c(C)n(CC2CCCCC2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H28N2O4/c1-4-28-22(25)21-16(3)23(14-17-8-6-5-7-9-17)15(2)20(21)18-10-12-19(13-11-18)24(26)27/h10-13,17H,4-9,14H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360441
PNG
(CHEMBL1934441)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O2/c1-14-20(17-9-10-18(12-27)19(11-17)23(24,25)26)21(22(29)30-3)15(2)28(14)13-16-7-5-4-6-8-16/h4-11H,13H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360447
PNG
(CHEMBL1934447)
Show SMILES Cc1c(c(cn1Cc1cnc(Cl)c(CO)c1)C#N)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H15ClN4O/c1-13-19(16-4-2-14(7-22)3-5-16)18(8-23)11-25(13)10-15-6-17(12-26)20(21)24-9-15/h2-6,9,11,26H,10,12H2,1H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
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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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))		BDBM50360429
PNG
(CHEMBL1934430)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N2O4/c1-4-28-22(25)21-16(3)23(14-17-8-6-5-7-9-17)15(2)20(21)18-10-12-19(13-11-18)24(26)27/h5-13H,4,14H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360437
PNG
(CHEMBL1934437)
Show SMILES CC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H20N2O3/c1-14-20(16(3)24)21(18-9-11-19(12-10-18)23(25)26)15(2)22(14)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360438
PNG
(CHEMBL1934438)
Show SMILES Cc1cc(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H18N2O2/c1-14-12-19(17-8-10-18(11-9-17)21(22)23)15(2)20(14)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360447
PNG
(CHEMBL1934447)
Show SMILES Cc1c(c(cn1Cc1cnc(Cl)c(CO)c1)C#N)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H15ClN4O/c1-13-19(16-4-2-14(7-22)3-5-16)18(8-23)11-25(13)10-15-6-17(12-26)20(21)24-9-15/h2-6,9,11,26H,10,12H2,1H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360427
PNG
(CHEMBL1934428)
Show SMILES CCOC(=O)c1c(C)n(C)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H18N2O4/c1-5-22-16(19)15-11(3)17(4)10(2)14(15)12-6-8-13(9-7-12)18(20)21/h6-9H,5H2,1-4H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360428
PNG
(CHEMBL1934429)
Show SMILES CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C21H20N2O4/c1-4-27-21(24)20-15(3)22(17-8-6-5-7-9-17)14(2)19(20)16-10-12-18(13-11-16)23(25)26/h5-13H,4H2,1-3H3
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n/an/a 550n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360435
PNG
(CHEMBL1934435)
Show SMILES Cc1c(C(O)=O)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H18N2O4/c1-13-18(16-8-10-17(11-9-16)22(25)26)19(20(23)24)14(2)21(13)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,24)
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n/an/a 620n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360432
PNG
(CHEMBL1934432)
Show SMILES CCOC(=O)c1c(C)n(C(=O)c2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H20N2O5/c1-4-29-22(26)20-15(3)23(21(25)17-8-6-5-7-9-17)14(2)19(20)16-10-12-18(13-11-16)24(27)28/h5-13H,4H2,1-3H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360439
PNG
(CHEMBL1934439)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccccc1
Show InChI InChI=1S/C21H21NO2/c1-15-19(18-12-8-5-9-13-18)20(21(23)24-3)16(2)22(15)14-17-10-6-4-7-11-17/h4-13H,14H2,1-3H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360436
PNG
(CHEMBL1934436)
Show SMILES Cc1c(CO)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H20N2O3/c1-14-19(13-23)20(17-8-10-18(11-9-17)22(24)25)15(2)21(14)12-16-6-4-3-5-7-16/h3-11,23H,12-13H2,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360430
PNG
(CHEMBL1934431)
Show SMILES CCOC(=O)c1c(C)n(CC2CCCCC2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H28N2O4/c1-4-28-22(25)21-16(3)23(14-17-8-6-5-7-9-17)15(2)20(21)18-10-12-19(13-11-18)24(26)27/h10-13,17H,4-9,14H2,1-3H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360431
PNG
(CHEMBL1933081)
Show SMILES CCOC(=O)c1c(C)n(CCc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H24N2O4/c1-4-29-23(26)22-17(3)24(15-14-18-8-6-5-7-9-18)16(2)21(22)19-10-12-20(13-11-19)25(27)28/h5-13H,4,14-15H2,1-3H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360428
PNG
(CHEMBL1934429)
Show SMILES CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C21H20N2O4/c1-4-27-21(24)20-15(3)22(17-8-6-5-7-9-17)14(2)19(20)16-10-12-18(13-11-16)23(25)26/h5-13H,4H2,1-3H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360437
PNG
(CHEMBL1934437)
Show SMILES CC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H20N2O3/c1-14-20(16(3)24)21(18-9-11-19(12-10-18)23(25)26)15(2)22(14)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360433
PNG
(CHEMBL1934433)
Show SMILES CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H20N2O6S/c1-4-29-21(24)20-15(3)22(30(27,28)18-8-6-5-7-9-18)14(2)19(20)16-10-12-17(13-11-16)23(25)26/h5-13H,4H2,1-3H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360435
PNG
(CHEMBL1934435)
Show SMILES Cc1c(C(O)=O)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H18N2O4/c1-13-18(16-8-10-17(11-9-16)22(25)26)19(20(23)24)14(2)21(13)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,24)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))		BDBM50360426
PNG
(CHEMBL1934427)
Show SMILES CCOC(=O)c1c(C)[nH]c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H16N2O4/c1-4-21-15(18)14-10(3)16-9(2)13(14)11-5-7-12(8-6-11)17(19)20/h5-8,16H,4H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360428
PNG
(CHEMBL1934429)
Show SMILES CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C21H20N2O4/c1-4-27-21(24)20-15(3)22(17-8-6-5-7-9-17)14(2)19(20)16-10-12-18(13-11-16)23(25)26/h5-13H,4H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360437
PNG
(CHEMBL1934437)
Show SMILES CC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H20N2O3/c1-14-20(16(3)24)21(18-9-11-19(12-10-18)23(25)26)15(2)22(14)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360432
PNG
(CHEMBL1934432)
Show SMILES CCOC(=O)c1c(C)n(C(=O)c2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H20N2O5/c1-4-29-22(26)20-15(3)23(21(25)17-8-6-5-7-9-17)14(2)19(20)16-10-12-18(13-11-16)24(27)28/h5-13H,4H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360448
PNG
(CHEMBL1934448)
Show SMILES Cc1c(C#N)c(cn1Cc1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H15ClN4O/c1-13-18(8-23)19(16-4-2-14(7-22)3-5-16)11-25(13)10-15-6-17(12-26)20(21)24-9-15/h2-6,9,11,26H,10,12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/an/an/a 6.20n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))		BDBM50360430
PNG
(CHEMBL1934431)
Show SMILES CCOC(=O)c1c(C)n(CC2CCCCC2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H28N2O4/c1-4-28-22(25)21-16(3)23(14-17-8-6-5-7-9-17)15(2)20(21)18-10-12-19(13-11-18)24(26)27/h10-13,17H,4-9,14H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360431
PNG
(CHEMBL1933081)
Show SMILES CCOC(=O)c1c(C)n(CCc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H24N2O4/c1-4-29-23(26)22-17(3)24(15-14-18-8-6-5-7-9-18)16(2)21(22)19-10-12-20(13-11-19)25(27)28/h5-13H,4,14-15H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360435
PNG
(CHEMBL1934435)
Show SMILES Cc1c(C(O)=O)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H18N2O4/c1-13-18(16-8-10-17(11-9-16)22(25)26)19(20(23)24)14(2)21(13)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360442
PNG
(CHEMBL1934442)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H17N3/c1-15-20(13-23)21(19-10-8-17(12-22)9-11-19)16(2)24(15)14-18-6-4-3-5-7-18/h3-11H,14H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360445
PNG
(CHEMBL1934445)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1cncc(CO)c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H18N4O/c1-14-20(9-23)21(19-5-3-16(8-22)4-6-19)15(2)25(14)12-17-7-18(13-26)11-24-10-17/h3-7,10-11,26H,12-13H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360436
PNG
(CHEMBL1934436)
Show SMILES Cc1c(CO)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H20N2O3/c1-14-19(13-23)20(17-8-10-18(11-9-17)22(24)25)15(2)21(14)12-16-6-4-3-5-7-16/h3-11,23H,12-13H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360439
PNG
(CHEMBL1934439)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccccc1
Show InChI InChI=1S/C21H21NO2/c1-15-19(18-12-8-5-9-13-18)20(21(23)24-3)16(2)22(15)14-17-10-6-4-7-11-17/h4-13H,14H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360447
PNG
(CHEMBL1934447)
Show SMILES Cc1c(c(cn1Cc1cnc(Cl)c(CO)c1)C#N)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H15ClN4O/c1-13-19(16-4-2-14(7-22)3-5-16)18(8-23)11-25(13)10-15-6-17(12-26)20(21)24-9-15/h2-6,9,11,26H,10,12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360440
PNG
(CHEMBL1934440)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H20N2O2/c1-15-20(19-11-9-17(13-23)10-12-19)21(22(25)26-3)16(2)24(15)14-18-7-5-4-6-8-18/h4-12H,14H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360441
PNG
(CHEMBL1934441)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O2/c1-14-20(17-9-10-18(12-27)19(11-17)23(24,25)26)21(22(29)30-3)15(2)28(14)13-16-7-5-4-6-8-16/h4-11H,13H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360444
PNG
(CHEMBL1934444)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1ccc(Cl)nc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H15ClN4/c1-13-18(10-23)20(17-6-3-15(9-22)4-7-17)14(2)25(13)12-16-5-8-19(21)24-11-16/h3-8,11H,12H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
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/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))		BDBM50360427
PNG
(CHEMBL1934428)
Show SMILES CCOC(=O)c1c(C)n(C)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H18N2O4/c1-5-22-16(19)15-11(3)17(4)10(2)14(15)12-6-8-13(9-7-12)18(20)21/h6-9H,5H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360429
PNG
(CHEMBL1934430)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N2O4/c1-4-28-22(25)21-16(3)23(14-17-8-6-5-7-9-17)15(2)20(21)18-10-12-19(13-11-18)24(26)27/h5-13H,4,14H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360433
PNG
(CHEMBL1934433)
Show SMILES CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H20N2O6S/c1-4-29-21(24)20-15(3)22(30(27,28)18-8-6-5-7-9-18)14(2)19(20)16-10-12-17(13-11-16)23(25)26/h5-13H,4H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360443
PNG
(CHEMBL1934443)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1cccnc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H16N4/c1-14-19(11-22)20(18-7-5-16(10-21)6-8-18)15(2)24(14)13-17-4-3-9-23-12-17/h3-9,12H,13H2,1-2H3
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n/an/an/an/a 2.20E+3n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360434
PNG
(CHEMBL1934434)
Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H20N2O4/c1-14-19(17-9-11-18(12-10-17)23(25)26)20(21(24)27-3)15(2)22(14)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360438
PNG
(CHEMBL1934438)
Show SMILES Cc1cc(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H18N2O2/c1-14-12-19(17-8-10-18(11-9-17)21(22)23)15(2)20(14)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50360446
PNG
(CHEMBL1934446)
Show SMILES Cc1c(C#N)c(c(C)n1Cc1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H17ClN4O/c1-13-19(9-24)20(17-5-3-15(8-23)4-6-17)14(2)26(13)11-16-7-18(12-27)21(22)25-10-16/h3-7,10,27H,11-12H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem 20: 422-34 (2011)


Article DOI: 10.1016/j.bmc.2011.10.067
BindingDB Entry DOI: 10.7270/Q2251JM1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%