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Compile Data Set for Download or QSAR

Found 489 hits of ic50 data for polymerid = 5978   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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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...


Citation and Details
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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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...


Citation and Details
More data for this
Ligand-Target Pair
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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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...


Citation and Details
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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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...


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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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...


Citation and Details
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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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...


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...


Citation and Details
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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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...


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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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
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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...


Citation and Details
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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
More data for this
Ligand-Target Pair
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...


Citation and Details
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...


Citation and Details
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...


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


(Rattus norvegicus (Rat))
BDBM112849
PNG
(US8629167, 61)
Show SMILES C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c2sccc12)c1nnc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H15N5O2S/c1-12(27)18(24-16-7-8-17(23-2)19-15(16)9-10-29-19)21-26-25-20(28-21)14-5-3-13(11-22)4-6-14/h3-10,12,18,24,27H,1H3/t12-,18-/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...


Citation and Details
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...


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


(Rattus norvegicus (Rat))
BDBM50025425
PNG
(17-Hydroxy-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,...)
Show SMILES CC12CCC3C(CCC4CC(=O)C=CC34C)C1CCC2O
Show InChI InChI=1S/C19H28O2/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/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


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


(Rattus norvegicus (Rat))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

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


(Rattus norvegicus (Rat))
BDBM26258
PNG
((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)
Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12
Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1
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n/an/a 1.66n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112885
PNG
(US8629167, 49)
Show SMILES C[C@@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(CO)cc1
Show InChI InChI=1S/C20H19ClN4O3/c1-11-15(8-9-16(22-3)17(11)21)23-18(12(2)27)20-25-24-19(28-20)14-6-4-13(10-26)5-7-14/h4-9,12,18,23,26-27H,10H2,1-2H3/t12-,18-/m1/s1
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n/an/a 2n/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...


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


(Rattus norvegicus (Rat))
BDBM112866
PNG
(US8629167, 79)
Show SMILES Cc1c(N[C@H](CCO)c2nnc(o2)-c2ccc(cc2)[N+]#[C-])ccc([N+]#[C-])c1Cl
Show InChI InChI=1S/C20H16ClN5O2/c1-12-15(8-9-16(23-3)18(12)21)24-17(10-11-27)20-26-25-19(28-20)13-4-6-14(22-2)7-5-13/h4-9,17,24,27H,10-11H2,1H3/t17-/m1/s1
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n/an/a 2n/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...


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


(Rattus norvegicus (Rat))
BDBM112868
PNG
(US8629167, 81)
Show SMILES C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1cccc(F)c1
Show InChI InChI=1S/C19H16ClFN4O2/c1-10-14(7-8-15(22-3)16(10)20)23-17(11(2)26)19-25-24-18(27-19)12-5-4-6-13(21)9-12/h4-9,11,17,23,26H,1-2H3/t11-,17+/m0/s1
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n/an/a 2n/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...


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


(Rattus norvegicus (Rat))
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 2n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from androgen receptor in Sprague-Dawley rat prostate gland after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112811
PNG
(US8629167, 22)
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+/m0/s1
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n/an/a 2n/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...


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


(Rattus norvegicus (Rat))
BDBM112821
PNG
(US8629167, 32)
Show SMILES C[C@@H](O)C(Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H15Cl3N4O2/c1-9-14(6-7-15(23-3)16(9)22)24-17(10(2)27)19-26-25-18(28-19)11-4-5-12(20)13(21)8-11/h4-8,10,17,24,27H,1-2H3/t10-,17?/m1/s1
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n/an/a 2n/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...


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


(Rattus norvegicus (Rat))
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 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


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


(Rattus norvegicus (Rat))
BDBM50410541
PNG
(CHEMBL194467)
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 2.24n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50025417
PNG
(7-Hydroxy-1,4a,6a-trimethyl-1,4a,4b,5,6,6a,7,8,9,9...)
Show SMILES CN1[C@@H]2CCC3C4CCC(O)C4(C)CCC3C2(C)C=CC1=O
Show InChI InChI=1S/C19H29NO2/c1-18-11-9-17(22)20(3)15(18)6-4-12-13-5-7-16(21)19(13,2)10-8-14(12)18/h9,11-16,21H,4-8,10H2,1-3H3/t12?,13?,14?,15-,16?,18?,19?/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


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


(Rattus norvegicus (Rat))
BDBM50410489
PNG
(TRENBOLONE)
Show SMILES C[C@]12C=CC3=C4CCC(=O)C=C4CCC3C1CC[C@@H]2O
Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15?,16?,17-,18-/m0/s1
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n/an/a 2.63n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112810
PNG
(US8629167, 21)
Show SMILES C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16Cl2N4O2/c1-10-14(7-8-15(22-3)16(10)21)23-17(11(2)26)19-25-24-18(27-19)12-5-4-6-13(20)9-12/h4-9,11,17,23,26H,1-2H3/t11-,17+/m0/s1
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n/an/a 3n/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...


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


(Rattus norvegicus (Rat))
BDBM112791
PNG
(US8629167, 1)
Show SMILES C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C19H17ClN4O2/c1-11-14(9-10-15(21-3)16(11)20)22-17(12(2)25)19-24-23-18(26-19)13-7-5-4-6-8-13/h4-10,12,17,22,25H,1-2H3/t12-,17+/m0/s1
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n/an/a 3n/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...


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


(Rattus norvegicus (Rat))
BDBM112832
PNG
(US8629167, 43)
Show SMILES C[C@H](O)C(Nc1ccc([N+]#[C-])c(Cl)c1C)c1nnc(C)o1
Show InChI InChI=1S/C14H15ClN4O2/c1-7-10(5-6-11(16-4)12(7)15)17-13(8(2)20)14-19-18-9(3)21-14/h5-6,8,13,17,20H,1-3H3/t8-,13?/m0/s1
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n/an/a 3n/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...


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


(Rattus norvegicus (Rat))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/a 3.09n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)

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


(Rattus norvegicus (Rat))
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 3.10n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
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 3.10n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from Sprague-Dawley rat AR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)

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


(Rattus norvegicus (Rat))
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


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


(Rattus norvegicus (Rat))
BDBM112823
PNG
(US8629167, 34)
Show SMILES C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1Cl)c1nnc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H13Cl3N4O2/c1-9(26)16(23-13-7-4-11(8-22)14(20)15(13)21)18-25-24-17(27-18)10-2-5-12(19)6-3-10/h2-7,9,16,23,26H,1H3/t9-,16+/m0/s1
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n/an/a 4n/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...


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


(Rattus norvegicus (Rat))
BDBM180890
PNG
(US9133182, Example 19)
Show SMILES C[C@@H]1OC(=O)N([C@H]1[C@H](O)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H10F6N2O3/c1-6-10(11(23)14(18,19)20)22(12(24)25-6)8-3-2-7(5-21)9(4-8)13(15,16)17/h2-4,6,10-11,23H,1H3/t6-,10+,11-/m0/s1
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n/an/a 4n/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...


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


(Rattus norvegicus (Rat))
BDBM112858
PNG
(US8629167, 70)
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-/m1/s1
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n/an/a 4n/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...


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


(Rattus norvegicus (Rat))
BDBM112833
PNG
(US8629167, 44)
Show SMILES C[C@@H](O)[C@@H](Nc1ccc(C#N)c(c1)C(F)(F)F)c1nnc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H14F3N5O2/c1-11(29)17(26-15-7-6-14(10-25)16(8-15)20(21,22)23)19-28-27-18(30-19)13-4-2-12(9-24)3-5-13/h2-8,11,17,26,29H,1H3/t11-,17-/m1/s1
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n/an/a 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...


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


(Rattus norvegicus (Rat))
BDBM112803
PNG
(US8629167, 13)
Show SMILES C[C@H](O)[C@@H](Nc1ccc([N+]#[C-])c2ccccc12)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H18N4O2/c1-14(27)20(22-26-25-21(28-22)15-8-4-3-5-9-15)24-19-13-12-18(23-2)16-10-6-7-11-17(16)19/h3-14,20,24,27H,1H3/t14-,20+/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...


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


(Rattus norvegicus (Rat))
BDBM112792
PNG
(US8629167, 2)
Show SMILES COc1ccc(cc1)-c1nnc(o1)[C@H](Nc1ccc([N+]#[C-])c(Cl)c1C)[C@H](C)O
Show InChI InChI=1S/C20H19ClN4O3/c1-11-15(9-10-16(22-3)17(11)21)23-18(12(2)26)20-25-24-19(28-20)13-5-7-14(27-4)8-6-13/h5-10,12,18,23,26H,1-2,4H3/t12-,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...


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


(Rattus norvegicus (Rat))
BDBM112838
PNG
(US8629167, 50)
Show SMILES C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1)c1nnc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H14ClN5O2/c1-11(26)17(23-15-7-6-14(10-22)16(20)8-15)19-25-24-18(27-19)13-4-2-12(9-21)3-5-13/h2-8,11,17,23,26H,1H3/t11-,17+/m0/s1
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n/an/a 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...


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


(Rattus norvegicus (Rat))
BDBM50338693
PNG
(2-methyl-2-((3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahy...)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2C=CC[C@@H]12)[N+]([O-])=O
Show InChI InChI=1S/C16H20N2O3/c1-16(2,9-19)15-12-5-3-4-11(12)13-8-10(18(20)21)6-7-14(13)17-15/h3-4,6-8,11-12,15,17,19H,5,9H2,1-2H3/t11-,12+,15-/m0/s1
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Article
PubMed
n/an/a 5.10n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM112820
PNG
(US8629167, 31)
Show SMILES C[C@@H](O)[C@@H](Nc1ccc(C#N)c(c1C)C(F)(F)F)c1nnc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H16F3N5O2/c1-11-16(8-7-15(10-26)17(11)21(22,23)24)27-18(12(2)30)20-29-28-19(31-20)14-5-3-13(9-25)4-6-14/h3-8,12,18,27,30H,1-2H3/t12-,18-/m1/s1
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n/an/a 5.90n/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...


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


(Rattus norvegicus (Rat))
BDBM112835
PNG
(US8629167, 46)
Show SMILES C[C@@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1)c1nnc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H14ClN5O2/c1-11(26)17(23-15-7-6-14(10-22)16(20)8-15)19-25-24-18(27-19)13-4-2-12(9-21)3-5-13/h2-8,11,17,23,26H,1H3/t11-,17-/m1/s1
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n/an/a 6n/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...


Citation and Details
More data for this
Ligand-Target Pair
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