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Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'mcnally' and Initial = 'c'   
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))
BDBM50257270
PNG
(CHEMBL4088158)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1Cl)C#N
Show InChI InChI=1S/C12H9ClN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50257265
PNG
(CHEMBL4095364)
Show SMILES Cn1c(ccc1-c1c(F)cc(O)cc1F)C#N |(9.8,-30.9,;9.75,-29.36,;8.48,-28.5,;8.91,-27.02,;10.45,-26.97,;10.97,-28.42,;12.44,-28.84,;13.55,-27.78,;13.18,-26.29,;15.03,-28.2,;15.4,-29.71,;16.88,-30.13,;14.29,-30.77,;12.81,-30.34,;11.7,-31.41,;7.02,-29.02,;5.57,-29.54,)|
Show InChI InChI=1S/C12H8F2N2O/c1-16-7(6-15)2-3-11(16)12-9(13)4-8(17)5-10(12)14/h2-5,17H,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
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))
BDBM50257275
PNG
(CHEMBL4065842)
Show SMILES Cc1cc(ccc1O)-c1ccc(C#N)n1C
Show InChI InChI=1S/C13H12N2O/c1-9-7-10(3-6-13(9)16)12-5-4-11(8-14)15(12)2/h3-7,16H,1-2H3
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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))
BDBM50257272
PNG
(CHEMBL4095883)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1F)C#N
Show InChI InChI=1S/C12H9FN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50257274
PNG
(CHEMBL4079377)
Show SMILES Cc1cc(O)ccc1-c1ccc(C#N)n1C
Show InChI InChI=1S/C13H12N2O/c1-9-7-11(16)4-5-12(9)13-6-3-10(8-14)15(13)2/h3-7,16H,1-2H3
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n/an/a 3.70n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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))
BDBM50257284
PNG
(CHEMBL4072730)
Show SMILES Cc1c(O)ccc(-c2ccc(C#N)n2C)c1C
Show InChI InChI=1S/C14H14N2O/c1-9-10(2)14(17)7-5-12(9)13-6-4-11(8-15)16(13)3/h4-7,17H,1-3H3
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n/an/a 4.90n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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))
BDBM50257276
PNG
(CHEMBL4087256)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1)C#N
Show InChI InChI=1S/C12H10N2O/c1-14-10(8-13)4-7-12(14)9-2-5-11(15)6-3-9/h2-7,15H,1H3
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n/an/a 6.30n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50257315
PNG
(CHEMBL4066319)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1C#N)C#N
Show InChI InChI=1S/C13H9N3O/c1-16-10(8-15)2-5-13(16)12-4-3-11(17)6-9(12)7-14/h2-6,17H,1H3
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n/an/a 6.80n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50257314
PNG
(CHEMBL4103641)
Show SMILES CCc1cc(ccc1O)-c1ccc(C#N)n1C
Show InChI InChI=1S/C14H14N2O/c1-3-10-8-11(4-7-14(10)17)13-6-5-12(9-15)16(13)2/h4-8,17H,3H2,1-2H3
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n/an/a 7.10n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50257313
PNG
(CHEMBL4061510)
Show SMILES Cn1c(ccc1-c1ccc(O)c2CCCc12)C#N
Show InChI InChI=1S/C15H14N2O/c1-17-10(9-16)5-7-14(17)12-6-8-15(18)13-4-2-3-11(12)13/h5-8,18H,2-4H2,1H3
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n/an/a 8.10n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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))
BDBM50257319
PNG
(CHEMBL4088572)
Show SMILES Cn1c(cc(c1C#N)C(F)(F)F)-c1ccc(O)cc1
Show InChI InChI=1S/C13H9F3N2O/c1-18-11(8-2-4-9(19)5-3-8)6-10(12(18)7-17)13(14,15)16/h2-6,19H,1H3
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n/an/a 11n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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))
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))
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))
BDBM50257269
PNG
(CHEMBL4073399)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1C(F)(F)F)C#N
Show InChI InChI=1S/C13H9F3N2O/c1-18-8(7-17)2-5-12(18)10-4-3-9(19)6-11(10)13(14,15)16/h2-6,19H,1H3
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n/an/a 15n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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))
BDBM50257278
PNG
(CHEMBL4074555)
Show SMILES Cn1c(ccc1-c1c(Cl)cc(O)cc1Cl)C#N |(33.03,-30.55,;32.98,-29.01,;31.71,-28.14,;32.14,-26.67,;33.68,-26.61,;34.2,-28.07,;35.68,-28.49,;36.78,-27.43,;36.41,-25.93,;38.26,-27.85,;38.63,-29.35,;40.11,-29.78,;37.52,-30.42,;36.04,-29.99,;34.93,-31.05,;30.25,-28.67,;28.81,-29.19,)|
Show InChI InChI=1S/C12H8Cl2N2O/c1-16-7(6-15)2-3-11(16)12-9(13)4-8(17)5-10(12)14/h2-5,17H,1H3
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n/an/a 29n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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))
BDBM50257264
PNG
(CHEMBL4069026)
Show SMILES Cn1c(ccc1-c1ccc(O)c(F)c1F)C#N
Show InChI InChI=1S/C12H8F2N2O/c1-16-7(6-15)2-4-9(16)8-3-5-10(17)12(14)11(8)13/h2-5,17H,1H3
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n/an/a 37n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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))
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))
BDBM50257321
PNG
(CHEMBL4062016)
Show SMILES Cn1c(ccc1-c1ccc(O)c(Cl)c1)C#N
Show InChI InChI=1S/C12H9ClN2O/c1-15-9(7-14)3-4-11(15)8-2-5-12(16)10(13)6-8/h2-6,16H,1H3
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n/an/a 48n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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))
BDBM50257273
PNG
(CHEMBL4068562)
Show SMILES Cn1c(ccc1-c1ccc(O)c(F)c1)C#N
Show InChI InChI=1S/C12H9FN2O/c1-15-9(7-14)3-4-11(15)8-2-5-12(16)10(13)6-8/h2-6,16H,1H3
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n/an/a 59n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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))
BDBM50257268
PNG
(CHEMBL4100251)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1[N+]([O-])=O)C#N
Show InChI InChI=1S/C12H9N3O3/c1-14-8(7-13)2-5-11(14)10-4-3-9(16)6-12(10)15(17)18/h2-6,16H,1H3
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n/an/a 65n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50257263
PNG
(CHEMBL4104046)
Show SMILES Cn1c(ccc1-c1c(F)cc(O)cc1C#N)C#N |(32.18,-19.02,;32.14,-17.48,;30.86,-16.62,;31.29,-15.14,;32.83,-15.09,;33.36,-16.54,;34.83,-16.96,;35.94,-15.9,;35.57,-14.4,;37.42,-16.33,;37.79,-17.83,;39.27,-18.26,;36.67,-18.9,;35.2,-18.46,;34.09,-19.53,;32.97,-20.6,;29.4,-17.14,;27.95,-17.66,)|
Show InChI InChI=1S/C13H8FN3O/c1-17-9(7-16)2-3-12(17)13-8(6-15)4-10(18)5-11(13)14/h2-5,18H,1H3
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n/an/a 67n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50257324
PNG
(CHEMBL4091403)
Show SMILES Cn1c(ccc1-c1cc(F)c(O)cc1F)C#N
Show InChI InChI=1S/C12H8F2N2O/c1-16-7(6-15)2-3-11(16)8-4-10(14)12(17)5-9(8)13/h2-5,17H,1H3
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n/an/a 86n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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))
BDBM50257311
PNG
(CHEMBL4060340)
Show SMILES CCn1c(ccc1-c1ccc(O)cc1F)C#N
Show InChI InChI=1S/C13H11FN2O/c1-2-16-9(8-15)3-6-13(16)11-5-4-10(17)7-12(11)14/h3-7,17H,2H2,1H3
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n/an/a 127n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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))
BDBM50257310
PNG
(CHEMBL4073869)
Show SMILES Cn1c(cc(Br)c1-c1ccc(O)cc1)C#N
Show InChI InChI=1S/C12H9BrN2O/c1-15-9(7-14)6-11(13)12(15)8-2-4-10(16)5-3-8/h2-6,16H,1H3
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n/an/a 167n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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))
BDBM50257267
PNG
(CHEMBL4087674)
Show SMILES COC(=O)c1cc(O)ccc1-c1ccc(C#N)n1C
Show InChI InChI=1S/C14H12N2O3/c1-16-9(8-15)3-6-13(16)11-5-4-10(17)7-12(11)14(18)19-2/h3-7,17H,1-2H3
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n/an/a 330n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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
Androgen receptor


(Homo sapiens (Human))
BDBM50257266
PNG
(CHEMBL4074927)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C13H12N2O3S/c1-15-9(8-14)3-6-12(15)11-5-4-10(16)7-13(11)19(2,17)18/h3-7,16H,1-2H3
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n/an/a 1.47E+3n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
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