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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'kilbourne' and Initial = 'e'   
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))
BDBM50007606
PNG
(CHEMBL3238280)
Show SMILES C[C@](O)(COc1ccc(Br)cc1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17BrN2O3/c1-19(24,12-25-15-7-5-14(20)6-8-15)18(23)22-10-9-16-13(11-21)3-2-4-17(16)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007591
PNG
(CHEMBL3238292)
Show SMILES C[C@](O)(COc1ccc(cc1F)C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H16FN3O3/c1-20(26,12-27-18-6-5-13(10-22)9-16(18)21)19(25)24-8-7-15-14(11-23)3-2-4-17(15)24/h2-6,9,26H,7-8,12H2,1H3/t20-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007595
PNG
(CHEMBL3233069)
Show SMILES COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19ClN2O4/c1-20(25,12-27-18-7-6-14(26-2)10-16(18)21)19(24)23-9-8-15-13(11-22)4-3-5-17(15)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007590
PNG
(CHEMBL3238291)
Show SMILES C[C@](O)(COc1ccc(cc1Br)C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H16BrN3O3/c1-20(26,12-27-18-6-5-13(10-22)9-16(18)21)19(25)24-8-7-15-14(11-23)3-2-4-17(15)24/h2-6,9,26H,7-8,12H2,1H3/t20-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007596
PNG
(CHEMBL3233070)
Show SMILES C[C@](O)(COc1ccc(Cl)cc1F)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H16ClFN2O3/c1-19(25,11-26-17-6-5-13(20)9-15(17)21)18(24)23-8-7-14-12(10-22)3-2-4-16(14)23/h2-6,9,25H,7-8,11H2,1H3/t19-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007587
PNG
(CHEMBL3238288)
Show SMILES C[C@](O)(COc1ccc(F)cc1C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H16FN3O3/c1-20(26,12-27-18-6-5-15(21)9-14(18)11-23)19(25)24-8-7-16-13(10-22)3-2-4-17(16)24/h2-6,9,26H,7-8,12H2,1H3/t20-/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007597
PNG
(CHEMBL3233071)
Show SMILES C[C@](O)(COc1ccc(Cl)cc1Cl)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H16Cl2N2O3/c1-19(25,11-26-17-6-5-13(20)9-15(17)21)18(24)23-8-7-14-12(10-22)3-2-4-16(14)23/h2-6,9,25H,7-8,11H2,1H3/t19-/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007602
PNG
(CHEMBL3238276)
Show SMILES C[C@](O)(COc1ccccc1F)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17FN2O3/c1-19(24,12-25-17-8-3-2-6-15(17)20)18(23)22-10-9-14-13(11-21)5-4-7-16(14)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007589
PNG
(CHEMBL3238290)
Show SMILES Cc1cc(F)ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H19FN2O3/c1-13-10-15(21)6-7-18(13)26-12-20(2,25)19(24)23-9-8-16-14(11-22)4-3-5-17(16)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007588
PNG
(CHEMBL3238289)
Show SMILES C[C@](O)(COc1ccc(F)cc1Br)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H16BrFN2O3/c1-19(25,11-26-17-6-5-13(21)9-15(17)20)18(24)23-8-7-14-12(10-22)3-2-4-16(14)23/h2-6,9,25H,7-8,11H2,1H3/t19-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007600
PNG
(CHEMBL3238274)
Show SMILES C[C@](O)(COc1ccc(F)cc1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17FN2O3/c1-19(24,12-25-15-7-5-14(20)6-8-15)18(23)22-10-9-16-13(11-21)3-2-4-17(16)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007586
PNG
(CHEMBL3238287)
Show SMILES C[C@](O)(COc1ccccc1C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H17N3O3/c1-20(25,13-26-18-8-3-2-5-15(18)12-22)19(24)23-10-9-16-14(11-21)6-4-7-17(16)23/h2-8,25H,9-10,13H2,1H3/t20-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007584
PNG
(CHEMBL3238285)
Show SMILES C[C@](O)(COc1ccc(cc1)C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H17N3O3/c1-20(25,13-26-16-7-5-14(11-21)6-8-16)19(24)23-10-9-17-15(12-22)3-2-4-18(17)23/h2-8,25H,9-10,13H2,1H3/t20-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007592
PNG
(CHEMBL3238293)
Show SMILES COc1cc(ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N)C#N |r|
Show InChI InChI=1S/C21H19N3O4/c1-21(26,13-28-18-7-6-14(11-22)10-19(18)27-2)20(25)24-9-8-16-15(12-23)4-3-5-17(16)24/h3-7,10,26H,8-9,13H2,1-2H3/t21-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007607
PNG
(CHEMBL3238281)
Show SMILES C[C@](O)(COc1ccc(cc1)C(F)(F)F)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H17F3N2O3/c1-19(27,12-28-15-7-5-14(6-8-15)20(21,22)23)18(26)25-10-9-16-13(11-24)3-2-4-17(16)25/h2-8,27H,9-10,12H2,1H3/t19-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007601
PNG
(CHEMBL3238275)
Show SMILES C[C@](O)(COc1cccc(F)c1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17FN2O3/c1-19(24,12-25-15-6-3-5-14(20)10-15)18(23)22-9-8-16-13(11-21)4-2-7-17(16)22/h2-7,10,24H,8-9,12H2,1H3/t19-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007603
PNG
(CHEMBL3238277)
Show SMILES C[C@](O)(COc1ccc(Cl)cc1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17ClN2O3/c1-19(24,12-25-15-7-5-14(20)6-8-15)18(23)22-10-9-16-13(11-21)3-2-4-17(16)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007598
PNG
(CHEMBL3233072)
Show SMILES C[C@](O)(COc1ccc(Br)cc1F)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H16BrFN2O3/c1-19(25,11-26-17-6-5-13(20)9-15(17)21)18(24)23-8-7-14-12(10-22)3-2-4-16(14)23/h2-6,9,25H,7-8,11H2,1H3/t19-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007605
PNG
(CHEMBL3238279)
Show SMILES C[C@](O)(COc1ccccc1Cl)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17ClN2O3/c1-19(24,12-25-17-8-3-2-6-15(17)20)18(23)22-10-9-14-13(11-21)5-4-7-16(14)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007585
PNG
(CHEMBL3238286)
Show SMILES C[C@](O)(COc1ccccc1C(F)(F)F)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H17F3N2O3/c1-19(27,12-28-17-8-3-2-6-15(17)20(21,22)23)18(26)25-10-9-14-13(11-24)5-4-7-16(14)25/h2-8,27H,9-10,12H2,1H3/t19-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007599
PNG
(CHEMBL3238273)
Show SMILES C[C@](O)(COc1ccccc1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H18N2O3/c1-19(23,13-24-15-7-3-2-4-8-15)18(22)21-11-10-16-14(12-20)6-5-9-17(16)21/h2-9,23H,10-11,13H2,1H3/t19-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007604
PNG
(CHEMBL3238278)
Show SMILES C[C@](O)(COc1cccc(Cl)c1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17ClN2O3/c1-19(24,12-25-15-6-3-5-14(20)10-15)18(23)22-9-8-16-13(11-21)4-2-7-17(16)22/h2-7,10,24H,8-9,12H2,1H3/t19-/m0/s1
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n/an/a 107n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007609
PNG
(CHEMBL3238283)
Show SMILES COC(=O)c1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1 |r|
Show InChI InChI=1S/C21H20N2O5/c1-21(26,13-28-16-8-6-14(7-9-16)19(24)27-2)20(25)23-11-10-17-15(12-22)4-3-5-18(17)23/h3-9,26H,10-11,13H2,1-2H3/t21-/m0/s1
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n/an/a 133n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007608
PNG
(CHEMBL3238282)
Show SMILES COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1 |r|
Show InChI InChI=1S/C20H20N2O4/c1-20(24,13-26-16-8-6-15(25-2)7-9-16)19(23)22-11-10-17-14(12-21)4-3-5-18(17)22/h3-9,24H,10-11,13H2,1-2H3/t20-/m0/s1
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n/an/a 146n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007610
PNG
(CHEMBL3238284)
Show SMILES C[C@](O)(COc1ccc(cc1)-c1cocn1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C22H19N3O4/c1-22(27,13-29-17-7-5-15(6-8-17)19-12-28-14-24-19)21(26)25-10-9-18-16(11-23)3-2-4-20(18)25/h2-8,12,14,27H,9-10,13H2,1H3/t22-/m0/s1
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n/an/a 179n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007593
PNG
(CHEMBL3238294)
Show SMILES COc1cc(Cl)ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H19ClN2O4/c1-20(25,12-27-17-7-6-14(21)10-18(17)26-2)19(24)23-9-8-15-13(11-22)4-3-5-16(15)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
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n/an/a 366n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007594
PNG
(CHEMBL3238295)
Show SMILES COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)c(F)c1 |r|
Show InChI InChI=1S/C20H19FN2O4/c1-20(25,12-27-18-7-6-14(26-2)10-16(18)21)19(24)23-9-8-15-13(11-22)4-3-5-17(15)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
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n/an/a 427n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50007600
PNG
(CHEMBL3238274)
Show SMILES C[C@](O)(COc1ccc(F)cc1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17FN2O3/c1-19(24,12-25-15-7-5-14(20)6-8-15)18(23)22-10-9-16-13(11-21)3-2-4-17(16)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human ERG by dofetilide binding assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007584
PNG
(CHEMBL3238285)
Show SMILES C[C@](O)(COc1ccc(cc1)C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H17N3O3/c1-20(25,13-26-16-7-5-14(11-21)6-8-16)19(24)23-10-9-17-15(12-22)3-2-4-18(17)23/h2-8,25H,9-10,13H2,1H3/t20-/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007585
PNG
(CHEMBL3238286)
Show SMILES C[C@](O)(COc1ccccc1C(F)(F)F)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H17F3N2O3/c1-19(27,12-28-17-8-3-2-6-15(17)20(21,22)23)18(26)25-10-9-14-13(11-24)5-4-7-16(14)25/h2-8,27H,9-10,12H2,1H3/t19-/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007586
PNG
(CHEMBL3238287)
Show SMILES C[C@](O)(COc1ccccc1C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H17N3O3/c1-20(25,13-26-18-8-3-2-5-15(18)12-22)19(24)23-10-9-16-14(11-21)6-4-7-17(16)23/h2-8,25H,9-10,13H2,1H3/t20-/m0/s1
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n/an/an/an/a 0.150n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007587
PNG
(CHEMBL3238288)
Show SMILES C[C@](O)(COc1ccc(F)cc1C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H16FN3O3/c1-20(26,12-27-18-6-5-15(21)9-14(18)11-23)19(25)24-8-7-16-13(10-22)3-2-4-17(16)24/h2-6,9,26H,7-8,12H2,1H3/t20-/m0/s1
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n/an/an/an/a 0.0740n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007588
PNG
(CHEMBL3238289)
Show SMILES C[C@](O)(COc1ccc(F)cc1Br)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H16BrFN2O3/c1-19(25,11-26-17-6-5-13(21)9-15(17)20)18(24)23-8-7-14-12(10-22)3-2-4-16(14)23/h2-6,9,25H,7-8,11H2,1H3/t19-/m0/s1
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n/an/an/an/a 0.400n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007589
PNG
(CHEMBL3238290)
Show SMILES Cc1cc(F)ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H19FN2O3/c1-13-10-15(21)6-7-18(13)26-12-20(2,25)19(24)23-9-8-16-14(11-22)4-3-5-17(16)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007590
PNG
(CHEMBL3238291)
Show SMILES C[C@](O)(COc1ccc(cc1Br)C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H16BrN3O3/c1-20(26,12-27-18-6-5-13(10-22)9-16(18)21)19(25)24-8-7-15-14(11-23)3-2-4-17(15)24/h2-6,9,26H,7-8,12H2,1H3/t20-/m0/s1
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n/an/an/an/a 0.0600n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007591
PNG
(CHEMBL3238292)
Show SMILES C[C@](O)(COc1ccc(cc1F)C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H16FN3O3/c1-20(26,12-27-18-6-5-13(10-22)9-16(18)21)19(25)24-8-7-15-14(11-23)3-2-4-17(15)24/h2-6,9,26H,7-8,12H2,1H3/t20-/m0/s1
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n/an/an/an/a 0.0390n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007592
PNG
(CHEMBL3238293)
Show SMILES COc1cc(ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N)C#N |r|
Show InChI InChI=1S/C21H19N3O4/c1-21(26,13-28-18-7-6-14(11-22)10-19(18)27-2)20(25)24-9-8-16-15(12-23)4-3-5-17(16)24/h3-7,10,26H,8-9,13H2,1-2H3/t21-/m0/s1
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n/an/an/an/a 7.60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007593
PNG
(CHEMBL3238294)
Show SMILES COc1cc(Cl)ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H19ClN2O4/c1-20(25,12-27-17-7-6-14(21)10-18(17)26-2)19(24)23-9-8-15-13(11-22)4-3-5-16(15)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
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n/an/an/an/a 17n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007594
PNG
(CHEMBL3238295)
Show SMILES COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)c(F)c1 |r|
Show InChI InChI=1S/C20H19FN2O4/c1-20(25,12-27-18-7-6-14(26-2)10-16(18)21)19(24)23-9-8-15-13(11-22)4-3-5-17(15)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
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n/an/an/an/a 2.90n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007595
PNG
(CHEMBL3233069)
Show SMILES COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19ClN2O4/c1-20(25,12-27-18-7-6-14(26-2)10-16(18)21)19(24)23-9-8-15-13(11-22)4-3-5-17(15)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
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n/an/an/an/a 0.610n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007596
PNG
(CHEMBL3233070)
Show SMILES C[C@](O)(COc1ccc(Cl)cc1F)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H16ClFN2O3/c1-19(25,11-26-17-6-5-13(20)9-15(17)21)18(24)23-8-7-14-12(10-22)3-2-4-16(14)23/h2-6,9,25H,7-8,11H2,1H3/t19-/m0/s1
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n/an/an/an/a 0.280n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007597
PNG
(CHEMBL3233071)
Show SMILES C[C@](O)(COc1ccc(Cl)cc1Cl)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H16Cl2N2O3/c1-19(25,11-26-17-6-5-13(20)9-15(17)21)18(24)23-8-7-14-12(10-22)3-2-4-16(14)23/h2-6,9,25H,7-8,11H2,1H3/t19-/m0/s1
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n/an/an/an/a 0.25n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007598
PNG
(CHEMBL3233072)
Show SMILES C[C@](O)(COc1ccc(Br)cc1F)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H16BrFN2O3/c1-19(25,11-26-17-6-5-13(20)9-15(17)21)18(24)23-8-7-14-12(10-22)3-2-4-16(14)23/h2-6,9,25H,7-8,11H2,1H3/t19-/m0/s1
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n/an/an/an/a 0.110n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007599
PNG
(CHEMBL3238273)
Show SMILES C[C@](O)(COc1ccccc1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H18N2O3/c1-19(23,13-24-15-7-3-2-4-8-15)18(22)21-11-10-16-14(12-20)6-5-9-17(16)21/h2-9,23H,10-11,13H2,1H3/t19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human AR NTD (1 to 561 aa) expressed in CV1 cells coexpressing human AR-LBD (644-919 aa) assessed as N/C-termini interaction by a...


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007600
PNG
(CHEMBL3238274)
Show SMILES C[C@](O)(COc1ccc(F)cc1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17FN2O3/c1-19(24,12-25-15-7-5-14(20)6-8-15)18(23)22-10-9-16-13(11-21)3-2-4-17(16)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human AR NTD (1 to 561 aa) expressed in CV1 cells coexpressing human AR-LBD (644-919 aa) assessed as N/C-termini interaction by a...


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007601
PNG
(CHEMBL3238275)
Show SMILES C[C@](O)(COc1cccc(F)c1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17FN2O3/c1-19(24,12-25-15-6-3-5-14(20)10-15)18(23)22-9-8-16-13(11-21)4-2-7-17(16)22/h2-7,10,24H,8-9,12H2,1H3/t19-/m0/s1
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PubMed
n/an/an/an/a 1.53E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human AR NTD (1 to 561 aa) expressed in CV1 cells coexpressing human AR-LBD (644-919 aa) assessed as N/C-termini interaction by a...


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007602
PNG
(CHEMBL3238276)
Show SMILES C[C@](O)(COc1ccccc1F)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17FN2O3/c1-19(24,12-25-17-8-3-2-6-15(17)20)18(23)22-10-9-14-13(11-21)5-4-7-16(14)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human AR NTD (1 to 561 aa) expressed in CV1 cells coexpressing human AR-LBD (644-919 aa) assessed as N/C-termini interaction by a...


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007603
PNG
(CHEMBL3238277)
Show SMILES C[C@](O)(COc1ccc(Cl)cc1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17ClN2O3/c1-19(24,12-25-15-7-5-14(20)6-8-15)18(23)22-10-9-16-13(11-21)3-2-4-17(16)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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PubMed
n/an/an/an/a 172n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human AR NTD (1 to 561 aa) expressed in CV1 cells coexpressing human AR-LBD (644-919 aa) assessed as N/C-termini interaction by a...


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007604
PNG
(CHEMBL3238278)
Show SMILES C[C@](O)(COc1cccc(Cl)c1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17ClN2O3/c1-19(24,12-25-15-6-3-5-14(20)10-15)18(23)22-9-8-16-13(11-21)4-2-7-17(16)22/h2-7,10,24H,8-9,12H2,1H3/t19-/m0/s1
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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human AR NTD (1 to 561 aa) expressed in CV1 cells coexpressing human AR-LBD (644-919 aa) assessed as N/C-termini interaction by a...


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50007605
PNG
(CHEMBL3238279)
Show SMILES C[C@](O)(COc1ccccc1Cl)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17ClN2O3/c1-19(24,12-25-17-8-3-2-6-15(17)20)18(23)22-10-9-14-13(11-21)5-4-7-16(14)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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Article
PubMed
n/an/an/an/a 4.82E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human AR NTD (1 to 561 aa) expressed in CV1 cells coexpressing human AR-LBD (644-919 aa) assessed as N/C-termini interaction by a...


J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
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