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Compile Data Set for Download or QSAR

Found 4267 hits Enz. Inhib. hit(s) with Target = 'Androgen Receptor'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen Receptor


(Homo sapiens (human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
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 0n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50073060
PNG
((9R,10S,11S,13S,17S)-9-Fluoro-11,17-dihydroxy-10,1...)
Show SMILES C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Show InChI InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14?,15?,16-,17-,18-,19-,20-/m0/s1
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n/an/a 0n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity against Human Androgen receptor expressed in CV-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50154006
PNG
(17-Hydroxy-13-methyl-11-pentyl-1,2,6,7,8,11,12,13,...)
Show SMILES CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C23H34O2/c1-3-4-5-6-16-14-23(2)20(11-12-21(23)25)19-9-7-15-13-17(24)8-10-18(15)22(16)19/h13,16,19-21,25H,3-12,14H2,1-2H3/t16-,19?,20?,21-,23-/m0/s1
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n/an/a 0.00900n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of AR-dimerization in CHO-K1 cells expressing human androgen receptor


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM25430
PNG
(4-(2-hydroxyphenyl)-2-(trifluoromethyl)benzonitril...)
Show SMILES Oc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h1-7,19H
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n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay


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


(Rattus norvegicus (Rat))
BDBM112830
PNG
(US8629167, 41)
Show SMILES C[C@@H](O)C(Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(F)c(O)c1
Show InChI InChI=1S/C19H16ClFN4O3/c1-9-13(6-7-14(22-3)16(9)20)23-17(10(2)26)19-25-24-18(28-19)11-4-5-12(21)15(27)8-11/h4-8,10,17,23,26-27H,1-2H3/t10-,17?/m1/s1
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US Patent
n/an/a 0.0200n/an/an/an/an/an/a



Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112818
PNG
(US8629167, 29)
Show SMILES C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C19H16ClFN4O3/c1-9-13(5-6-14(22-3)16(9)20)23-17(10(2)26)19-25-24-18(28-19)11-4-7-15(27)12(21)8-11/h4-8,10,17,23,26-27H,1-2H3/t10-,17+/m0/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

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 C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
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 0.0500n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at androgen receptor in human Saos2 cells assessed as IL6 repression


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112828
PNG
(US8629167, 39)
Show SMILES C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H15ClF2N4O2/c1-9-14(6-7-15(23-3)16(9)20)24-17(10(2)27)19-26-25-18(28-19)11-4-5-12(21)13(22)8-11/h4-8,10,17,24,27H,1-2H3/t10-,17-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50154006
PNG
(17-Hydroxy-13-methyl-11-pentyl-1,2,6,7,8,11,12,13,...)
Show SMILES CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C23H34O2/c1-3-4-5-6-16-14-23(2)20(11-12-21(23)25)19-9-7-15-13-17(24)8-10-18(15)22(16)19/h13,16,19-21,25H,3-12,14H2,1-2H3/t16-,19?,20?,21-,23-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50154003
PNG
(11-Dodecyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13...)
Show SMILES CCCCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C30H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-23-21-30(2)27(18-19-28(30)32)26-16-14-22-20-24(31)15-17-25(22)29(23)26/h20,23,26-28,32H,3-19,21H2,1-2H3/t23-,26?,27?,28-,30-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor expressed in Escherichia coli


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


(Rattus norvegicus (Rat))
BDBM112826
PNG
(US8629167, 37)
Show SMILES C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N4O3/c1-9-13(5-6-14(22-3)16(9)21)23-17(10(2)26)19-25-24-18(28-19)11-4-7-15(27)12(20)8-11/h4-8,10,17,23,26-27H,1-2H3/t10-,17+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112829
PNG
(US8629167, 40)
Show SMILES C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(F)c(O)c1
Show InChI InChI=1S/C19H16ClFN4O3/c1-9-13(6-7-14(22-3)16(9)20)23-17(10(2)26)19-25-24-18(28-19)11-4-5-12(21)15(27)8-11/h4-8,10,17,23,26-27H,1-2H3/t10-,17+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112824
PNG
(US8629167, 35)
Show SMILES C[C@@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1C)c1nnc(o1)-c1ccc(F)cc1F
Show InChI InChI=1S/C19H15ClF2N4O2/c1-9-15(6-3-11(8-23)16(9)20)24-17(10(2)27)19-26-25-18(28-19)13-5-4-12(21)7-14(13)22/h3-7,10,17,24,27H,1-2H3/t10-,17-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50422635
PNG
(CHEMBL2311179)
Show SMILES C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3/t15-,16+,17+,18+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50373240
PNG
(CHEMBL427898)
Show SMILES COc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12
Show InChI InChI=1S/C18H13NO5/c1-8-7-13(21)19-10-4-3-9-15-12(6-5-11(20)17(15)23-2)24-18(22)16(9)14(8)10/h3-7,20H,1-2H3,(H,19,21)
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n/an/a 0.200n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at androgen receptor in human Saos2 cells assessed as IL6 repression


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50373235
PNG
(CHEMBL256769)
Show SMILES COc1c(ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12)C(=O)OC(F)(F)F
Show InChI InChI=1S/C20H12F3NO6/c1-8-7-13(25)24-11-5-3-9-15-12(29-19(27)16(9)14(8)11)6-4-10(17(15)28-2)18(26)30-20(21,22)23/h3-7H,1-2H3,(H,24,25)
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n/an/a 0.200n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at androgen receptor in human Saos2 cells assessed as IL6 repression


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50403728
PNG
(CHEMBL2112312)
Show SMILES CC[C@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(21)22-14/h4-6,8-9,20H,3,7H2,1-2H3/t8-,9+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50373232
PNG
(CHEMBL257151)
Show SMILES Cc1cc(=O)[nH]c2ccc-3c(COc4cccc(CO)c-34)c12
Show InChI InChI=1S/C18H15NO3/c1-10-7-16(21)19-14-6-5-12-13(17(10)14)9-22-15-4-2-3-11(8-20)18(12)15/h2-7,20H,8-9H2,1H3,(H,19,21)
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n/an/a 0.300n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at androgen receptor in human Saos2 cells assessed as IL6 repression


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


(Rattus norvegicus (Rat))
BDBM112819
PNG
(US8629167, 30)
Show SMILES C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N4O3/c1-9-13(5-6-14(22-3)16(9)21)23-17(10(2)26)19-25-24-18(28-19)11-4-7-15(27)12(20)8-11/h4-8,10,17,23,26-27H,1-2H3/t10-,17-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112797
PNG
(US8629167, 7)
Show SMILES C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1cccc(O)c1
Show InChI InChI=1S/C19H17ClN4O3/c1-10-14(7-8-15(21-3)16(10)20)22-17(11(2)25)19-24-23-18(27-19)12-5-4-6-13(26)9-12/h4-9,11,17,22,25-26H,1-2H3/t11-,17+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50157822
PNG
((2R,6S)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricycl...)
Show SMILES Oc1c2C3CCC(C=C3)c2c(O)n1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO2/c18-17(19,20)11-2-1-3-12(8-11)21-15(22)13-9-4-5-10(7-6-9)14(13)16(21)23/h1-5,8-10,22-23H,6-7H2
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of androgen dependent human prostate cancer cell MDA-MB-PCa2b proliferation


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50366207
PNG
(CHEMBL1957612)
Show SMILES Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C19H15ClFN3/c1-12-18(9-14-3-6-16(21)7-4-14)13(2)24(23-12)17-8-5-15(11-22)19(20)10-17/h3-8,10H,9H2,1-2H3
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n/an/a 0.470n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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


(Rattus norvegicus (Rat))
BDBM112805
PNG
(US8629167, 15)
Show SMILES Cc1c(N[C@@H](c2nnc(o2)-c2ccc(Cl)cc2)C(C)(C)O)ccc([N+]#[C-])c1Cl
Show InChI InChI=1S/C20H18Cl2N4O2/c1-11-14(9-10-15(23-4)16(11)22)24-17(20(2,3)27)19-26-25-18(28-19)12-5-7-13(21)8-6-12/h5-10,17,24,27H,1-3H3/t17-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112812
PNG
(US8629167, 23)
Show SMILES C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H16ClN5O2/c1-11-15(8-9-16(23-3)17(11)21)24-18(12(2)27)20-26-25-19(28-20)14-6-4-13(10-22)5-7-14/h4-9,12,18,24,27H,1-2H3/t12-,18-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50057651
PNG
(CHEMBL3326454)
Show SMILES CO[C@H]1[C@@H]2[C@@H](O)CCN2N=C1c1ccc(C#N)c(Cl)c1C
Show InChI InChI=1/C15H16ClN3O2/c1-8-10(4-3-9(7-17)12(8)16)13-15(21-2)14-11(20)5-6-19(14)18-13/h3-4,11,14-15,20H,5-6H2,1-2H3/t11-,14-,15+/s2
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n/an/a 0.700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-435 cells after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50373244
PNG
(CHEMBL258397)
Show SMILES COc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c2c1
Show InChI InChI=1S/C18H13NO4/c1-9-7-15(20)19-13-5-4-11-12-8-10(22-2)3-6-14(12)23-18(21)17(11)16(9)13/h3-8H,1-2H3,(H,19,20)
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n/an/a 0.800n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at androgen receptor in human Saos2 cells assessed as IL6 repression


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220383
PNG
(4'-methoxy-3-trifluoromethyl-biphenyl-4-carbonitri...)
Show SMILES COc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO/c1-20-13-6-4-10(5-7-13)11-2-3-12(9-19)14(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220643
PNG
(6-((cyclopropylmethyl)(propyl)amino)-4-(trifluorom...)
Show SMILES CCCN(CC1CC1)c1cc(c(cn1)C#N)C(F)(F)F
Show InChI InChI=1S/C14H16F3N3/c1-2-5-20(9-10-3-4-10)13-6-12(14(15,16)17)11(7-18)8-19-13/h6,8,10H,2-5,9H2,1H3
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50154004
PNG
(11-Decyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...)
Show SMILES CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C28H44O2/c1-3-4-5-6-7-8-9-10-11-21-19-28(2)25(16-17-26(28)30)24-14-12-20-18-22(29)13-15-23(20)27(21)24/h18,21,24-26,30H,3-17,19H2,1-2H3/t21-,24?,25?,26-,28-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50068091
PNG
(CHEMBL3402221)
Show SMILES C[C@H]1CCCN1c1ccc(C#N)c2ccccc12
Show InChI InChI=1/C16H16N2/c1-12-5-4-10-18(12)16-9-8-13(11-17)14-6-2-3-7-15(14)16/h2-3,6-9,12H,4-5,10H2,1H3/t12-/s2
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n/an/a 0.840n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50154005
PNG
(17-Hydroxy-13-methyl-11-octyl-1,2,6,7,8,11,12,13,1...)
Show SMILES CCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C26H40O2/c1-3-4-5-6-7-8-9-19-17-26(2)23(14-15-24(26)28)22-12-10-18-16-20(27)11-13-21(18)25(19)22/h16,19,22-24,28H,3-15,17H2,1-2H3/t19-,22?,23?,24-,26-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of AR-dimerization in CHO-K1 cells expressing human androgen receptor


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18600
PNG
(6-[bis(2,2,2-trifluoroethyl)amino]-1,2-dihydroquin...)
Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)ccc2c1
Show InChI InChI=1S/C13H10F6N2O/c14-12(15,16)6-21(7-13(17,18)19)9-2-3-10-8(5-9)1-4-11(22)20-10/h1-5H,6-7H2,(H,20,22)
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24 -45.2 1n/a 57n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220379
PNG
(3,2'-bis-trifluoromethyl-biphenyl-4-carbonitrile |...)
Show SMILES FC(F)(F)c1cc(ccc1C#N)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H7F6N/c16-14(17,18)12-4-2-1-3-11(12)9-5-6-10(8-22)13(7-9)15(19,20)21/h1-7H
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n/an/a>1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50068096
PNG
(CHEMBL3402227)
Show SMILES N#C[C@H]1CCCN1c1ccc(C#N)c2ccccc12
Show InChI InChI=1/C16H13N3/c17-10-12-7-8-16(15-6-2-1-5-14(12)15)19-9-3-4-13(19)11-18/h1-2,5-8,13H,3-4,9H2/t13-/s2
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Citation and Details
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 C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
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 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from androgen receptor in human MDA-MB-453 cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50076693
PNG
(5-Ethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-oxa...)
Show SMILES CCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(20)21-13/h5-8,19H,2-4H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50076691
PNG
(7,7-Dimethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-...)
Show SMILES CC1(C)CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(20)21-12(9)7-11(8)19-14/h5-7,19H,3-4H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112836
PNG
(US8629167, 47)
Show SMILES CCc1c(N[C@H]([C@H](C)O)C2=NOC(O2)c2ccc(cc2)C#N)ccc(C#N)c1Cl
Show InChI InChI=1S/C21H19ClN4O3/c1-3-16-17(9-8-15(11-24)18(16)22)25-19(12(2)27)20-26-29-21(28-20)14-6-4-13(10-23)5-7-14/h4-9,12,19,21,25,27H,3H2,1-2H3/t12-,19+,21?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112841
PNG
(US8629167, 53)
Show SMILES C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C22H19ClN6O2/c1-13-17(9-10-18(24-3)19(13)23)26-20(14(2)30)22-28-27-21(31-22)15-5-7-16(8-6-15)29-12-4-11-25-29/h4-12,14,20,26,30H,1-2H3/t14-,20+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112842
PNG
(US8629167, 54)
Show SMILES CCc1c(N[C@H]([C@@H](C)O)c2nnc(o2)-c2ccc(cc2)[N+]#[C-])ccc([N+]#[C-])c1Cl
Show InChI InChI=1S/C21H18ClN5O2/c1-5-15-16(10-11-17(24-4)18(15)22)25-19(12(2)28)21-27-26-20(29-21)13-6-8-14(23-3)9-7-13/h6-12,19,25,28H,5H2,1-2H3/t12-,19-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
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 1n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Displacement of [3H] ]5alpha-DHT from mouse androgen receptor expressed in monkey COS7 cells after 2 hrs by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112851
PNG
(US8629167, 63)
Show SMILES C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c2sccc12)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C20H16N4O2S/c1-12(25)17(20-24-23-19(26-20)13-6-4-3-5-7-13)22-15-8-9-16(21-2)18-14(15)10-11-27-18/h3-12,17,22,25H,1H3/t12-,17+/m0/s1
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Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112852
PNG
(US8629167, 64)
Show SMILES C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c2sccc12)c1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H15FN4O2S/c1-11(26)17(20-25-24-19(27-20)12-3-5-13(21)6-4-12)23-15-7-8-16(22-2)18-14(15)9-10-28-18/h3-11,17,23,26H,1H3/t11-,17-/m1/s1
PDB
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Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112853
PNG
(US8629167, 65)
Show SMILES C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c2sccc12)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C20H16N4O2S/c1-12(25)17(20-24-23-19(26-20)13-6-4-3-5-7-13)22-15-8-9-16(21-2)18-14(15)10-11-27-18/h3-12,17,22,25H,1H3/t12-,17-/m1/s1
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Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112865
PNG
(US8629167, 78)
Show SMILES C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C21H20ClN5O3/c1-11-16(9-10-17(23-4)18(11)22)25-19(12(2)28)21-27-26-20(30-21)14-5-7-15(8-6-14)24-13(3)29/h5-10,12,19,25,28H,1-3H3,(H,24,29)/t12-,19+/m0/s1
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Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112867
PNG
(US8629167, 80)
Show SMILES C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C=C)c1nnc(o1)-c1ccc(cc1)[N+]#[C-]
Show InChI InChI=1S/C21H16ClN5O2/c1-5-15-16(10-11-17(24-4)18(15)22)25-19(12(2)28)21-27-26-20(29-21)13-6-8-14(23-3)9-7-13/h5-12,19,25,28H,1H2,2H3/t12-,19+/m0/s1
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Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112882
PNG
(US8629167, 95)
Show SMILES C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c2scc(Cl)c12)c1nnc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H14ClN5O2S/c1-11(28)18(21-27-26-20(29-21)13-5-3-12(9-23)4-6-13)25-15-7-8-16(24-2)19-17(15)14(22)10-30-19/h3-8,10-11,18,25,28H,1H3/t11-,18+/m0/s1
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Radius Health, Inc.

US Patent


Assay Description
In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...


US Patent US8629167 (2014)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50076697
PNG
(4-Trifluoromethyl-5,6,7,8-tetrahydro-1-oxa-8-aza-a...)
Show SMILES FC(F)(F)c1cc(=O)oc2cc3NCCCc3cc12
Show InChI InChI=1S/C13H10F3NO2/c14-13(15,16)9-5-12(18)19-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50076687
PNG
(5-Methyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-ox...)
Show SMILES CC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO2/c1-7-2-3-18-11-6-12-9(4-8(7)11)10(14(15,16)17)5-13(19)20-12/h4-7,18H,2-3H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50076688
PNG
(CHEMBL266473 | trans-7-Ethyl-4-trifluoromethyl-5,6...)
Show SMILES CCC1CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-2-9-4-3-8-5-10-11(15(16,17)18)6-14(20)21-13(10)7-12(8)19-9/h5-7,9,19H,2-4H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)

More data for this
Ligand-Target Pair
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