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Compile Data Set for Download or QSAR

Found 61 hits of ki for UniProtKB: P10275   
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 [633-919]


(Homo sapiens (Human))		BDBM50529668
PNG
(Enobosarm | Gtx-024 | MK-2866 | Ostarine | US10806...)
Show SMILES C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1
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Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM50529668
PNG
(Enobosarm | Gtx-024 | MK-2866 | Ostarine | US10806...)
Show SMILES C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1
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BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM50529647
PNG
(CHEMBL4584527 | US10806720, Compound 17 | US112305...)
Show SMILES CN(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C#N)c(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H21F3N4O2/c1-25(35,24(34)32-20-10-8-19(15-31)23(12-20)26(27,28)29)16-33(2)21-11-9-18(14-30)22(13-21)17-6-4-3-5-7-17/h3-13,35H,16H2,1-2H3,(H,32,34)/t25-/m0/s1
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Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM50529647
PNG
(CHEMBL4584527 | US10806720, Compound 17 | US112305...)
Show SMILES CN(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C#N)c(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H21F3N4O2/c1-25(35,24(34)32-20-10-8-19(15-31)23(12-20)26(27,28)29)16-33(2)21-11-9-18(14-30)22(13-21)17-6-4-3-5-7-17/h3-13,35H,16H2,1-2H3,(H,32,34)/t25-/m0/s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468304
PNG
(US10806720, Compound 100 | US11230523, Compound 10...)
Show SMILES C[C@](O)(CN1CCc2cc(Br)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H17BrF3N3O2/c1-19(29,11-27-7-6-12-8-14(21)3-5-17(12)27)18(28)26-15-4-2-13(10-25)16(9-15)20(22,23)24/h2-5,8-9,29H,6-7,11H2,1H3,(H,26,28)/t19-/m0/s1
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hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468304
PNG
(US10806720, Compound 100 | US11230523, Compound 10...)
Show SMILES C[C@](O)(CN1CCc2cc(Br)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H17BrF3N3O2/c1-19(29,11-27-7-6-12-8-14(21)3-5-17(12)27)18(28)26-15-4-2-13(10-25)16(9-15)20(22,23)24/h2-5,8-9,29H,6-7,11H2,1H3,(H,26,28)/t19-/m0/s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM50548633
PNG
(CHEMBL4739997 | US11230523, Compound 1060)
Show SMILES C[C@](O)(Cn1cc(C#N)c(Br)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
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Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468345
PNG
(US10806720, Compound 1028 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cc(N)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C15H14F3N5O2/c1-14(25,8-23-7-10(20)6-21-23)13(24)22-11-3-2-9(5-19)12(4-11)15(16,17)18/h2-4,6-7,25H,8,20H2,1H3,(H,22,24)/t14-/m0/s1
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hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468345
PNG
(US10806720, Compound 1028 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cc(N)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C15H14F3N5O2/c1-14(25,8-23-7-10(20)6-21-23)13(24)22-11-3-2-9(5-19)12(4-11)15(16,17)18/h2-4,6-7,25H,8,20H2,1H3,(H,22,24)/t14-/m0/s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468329
PNG
(US10806720, Compound 1010 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(c1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H17F4N3O2/c1-21(31,13-29-9-8-16(12-29)14-2-5-17(23)6-3-14)20(30)28-18-7-4-15(11-27)19(10-18)22(24,25)26/h2-10,12,31H,13H2,1H3,(H,28,30)/t21-/m0/s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468329
PNG
(US10806720, Compound 1010 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(c1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H17F4N3O2/c1-21(31,13-29-9-8-16(12-29)14-2-5-17(23)6-3-14)20(30)28-18-7-4-15(11-27)19(10-18)22(24,25)26/h2-10,12,31H,13H2,1H3,(H,28,30)/t21-/m0/s1
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Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM50529667
PNG
(CHEMBL4444904 | US10806720, Compound 11 | US112305...)
Show SMILES C[C@](O)(Cn1ccc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H15F4N3O2/c1-19(29,11-27-7-6-12-8-14(21)3-5-17(12)27)18(28)26-15-4-2-13(10-25)16(9-15)20(22,23)24/h2-9,29H,11H2,1H3,(H,26,28)/t19-/m0/s1
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hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM50529667
PNG
(CHEMBL4444904 | US10806720, Compound 11 | US112305...)
Show SMILES C[C@](O)(Cn1ccc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H15F4N3O2/c1-19(29,11-27-7-6-12-8-14(21)3-5-17(12)27)18(28)26-15-4-2-13(10-25)16(9-15)20(22,23)24/h2-9,29H,11H2,1H3,(H,26,28)/t19-/m0/s1
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BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468324
PNG
(US10806720, Compound 1004 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(c1)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H18F3N3O2/c1-21(30,14-28-10-9-17(13-28)15-5-3-2-4-6-15)20(29)27-18-8-7-16(12-26)19(11-18)22(23,24)25/h2-11,13,30H,14H2,1H3,(H,27,29)/t21-/m0/s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468324
PNG
(US10806720, Compound 1004 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(c1)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H18F3N3O2/c1-21(30,14-28-10-9-17(13-28)15-5-3-2-4-6-15)20(29)27-18-8-7-16(12-26)19(11-18)22(23,24)25/h2-11,13,30H,14H2,1H3,(H,27,29)/t21-/m0/s1
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hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468321
PNG
(US10806720, Compound 1001 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(c1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C17H13F3N4O2/c1-16(26,10-24-5-4-11(7-21)9-24)15(25)23-13-3-2-12(8-22)14(6-13)17(18,19)20/h2-6,9,26H,10H2,1H3,(H,23,25)/t16-/m0/s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468321
PNG
(US10806720, Compound 1001 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(c1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C17H13F3N4O2/c1-16(26,10-24-5-4-11(7-21)9-24)15(25)23-13-3-2-12(8-22)14(6-13)17(18,19)20/h2-6,9,26H,10H2,1H3,(H,23,25)/t16-/m0/s1
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hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM18678
PNG
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1
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Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM18678
PNG
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468333
PNG
(US10806720, Compound 1014 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(n1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C16H12F6N4O2/c1-14(28,8-26-5-4-12(25-26)16(20,21)22)13(27)24-10-3-2-9(7-23)11(6-10)15(17,18)19/h2-6,28H,8H2,1H3,(H,24,27)/t14-/m0/s1
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hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468333
PNG
(US10806720, Compound 1014 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(n1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C16H12F6N4O2/c1-14(28,8-26-5-4-12(25-26)16(20,21)22)13(27)24-10-3-2-9(7-23)11(6-10)15(17,18)19/h2-6,28H,8H2,1H3,(H,24,27)/t14-/m0/s1
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BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM50548630
PNG
(CHEMBL4794467 | US11230523, Compound 1069)
Show SMILES C[C@](O)(Cn1cc(Br)c(F)n1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|
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 566n/an/an/an/an/an/an/an/a


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Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468363
PNG
(US10806720, Compound 1059 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cc(c(F)n1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H15F5N4O2/c1-20(32,11-30-10-16(18(23)29-30)12-2-5-14(22)6-3-12)19(31)28-15-7-4-13(9-27)17(8-15)21(24,25)26/h2-8,10,32H,11H2,1H3,(H,28,31)/t20-/m0/s1
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UniProtKB/SwissProt

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 601n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468363
PNG
(US10806720, Compound 1059 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cc(c(F)n1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H15F5N4O2/c1-20(32,11-30-10-16(18(23)29-30)12-2-5-14(22)6-3-12)19(31)28-15-7-4-13(9-27)17(8-15)21(24,25)26/h2-8,10,32H,11H2,1H3,(H,28,31)/t20-/m0/s1
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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UniChem
US Patent
 601n/an/an/an/an/an/an/an/a


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Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468362
PNG
(US10806720, Compound 1058 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cc(Br)c(F)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C15H11BrF4N4O2/c1-14(26,7-24-6-11(16)12(17)23-24)13(25)22-9-3-2-8(5-21)10(4-9)15(18,19)20/h2-4,6,26H,7H2,1H3,(H,22,25)/t14-/m0/s1
PDB
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UniProtKB/SwissProt

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GoogleScholar
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UniChem
US Patent
 606n/an/an/an/an/an/an/an/a


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Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468362
PNG
(US10806720, Compound 1058 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cc(Br)c(F)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C15H11BrF4N4O2/c1-14(26,7-24-6-11(16)12(17)23-24)13(25)22-9-3-2-8(5-21)10(4-9)15(18,19)20/h2-4,6,26H,7H2,1H3,(H,22,25)/t14-/m0/s1
PDB
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UniProtKB/SwissProt

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 606n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468343
PNG
(US10806720, Compound 1025 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cc(cn1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H16F4N4O2/c1-20(31,12-29-11-15(10-27-29)13-2-5-16(22)6-3-13)19(30)28-17-7-4-14(9-26)18(8-17)21(23,24)25/h2-8,10-11,31H,12H2,1H3,(H,28,30)/t20-/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
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UniChem
 612n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468343
PNG
(US10806720, Compound 1025 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cc(cn1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H16F4N4O2/c1-20(31,12-29-11-15(10-27-29)13-2-5-16(22)6-3-13)19(30)28-17-7-4-14(9-26)18(8-17)21(23,24)25/h2-8,10-11,31H,12H2,1H3,(H,28,30)/t20-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
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UniChem
US Patent
 612n/an/an/an/an/an/an/an/a


TBA

Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468340
PNG
(US10806720, Compound 1021 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C16H13F4N3O2/c1-15(25,9-23-5-4-11(17)8-23)14(24)22-12-3-2-10(7-21)13(6-12)16(18,19)20/h2-6,8,25H,9H2,1H3,(H,22,24)/t15-/m0/s1
PDB
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UniProtKB/SwissProt

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GoogleScholar
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UniChem
US Patent
 633n/an/an/an/an/an/an/an/a


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Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468340
PNG
(US10806720, Compound 1021 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C16H13F4N3O2/c1-15(25,9-23-5-4-11(17)8-23)14(24)22-12-3-2-10(7-21)13(6-12)16(18,19)20/h2-6,8,25H,9H2,1H3,(H,22,24)/t15-/m0/s1
PDB
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UniProtKB/SwissProt

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 633n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468331
PNG
(US10806720, Compound 1012 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(F)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C15H12F4N4O2/c1-14(25,8-23-5-4-12(16)22-23)13(24)21-10-3-2-9(7-20)11(6-10)15(17,18)19/h2-6,25H,8H2,1H3,(H,21,24)/t14-/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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UniChem
 821n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468331
PNG
(US10806720, Compound 1012 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(F)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C15H12F4N4O2/c1-14(25,8-23-5-4-12(16)22-23)13(24)21-10-3-2-9(7-20)11(6-10)15(17,18)19/h2-6,25H,8H2,1H3,(H,21,24)/t14-/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
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UniChem
US Patent
 821n/an/an/an/an/an/an/an/a


TBA

Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468336
PNG
(US10806720, Compound 1017 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cc(cn1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C16H12F6N4O2/c1-14(28,8-26-7-10(6-24-26)15(17,18)19)13(27)25-11-3-2-9(5-23)12(4-11)16(20,21)22/h2-4,6-7,28H,8H2,1H3,(H,25,27)/t14-/m0/s1
PDB
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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
PC cid
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UniChem
US Patent
 898n/an/an/an/an/an/an/an/a


TBA

Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468336
PNG
(US10806720, Compound 1017 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cc(cn1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C16H12F6N4O2/c1-14(28,8-26-7-10(6-24-26)15(17,18)19)13(27)25-11-3-2-9(5-23)12(4-11)16(20,21)22/h2-4,6-7,28H,8H2,1H3,(H,25,27)/t14-/m0/s1
PDB
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UniProtKB/SwissProt

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 898n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468326
PNG
(US10806720, Compound 1006 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cnc(Br)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C15H12BrF3N4O2/c1-14(25,7-23-6-12(16)21-8-23)13(24)22-10-3-2-9(5-20)11(4-10)15(17,18)19/h2-4,6,8,25H,7H2,1H3,(H,22,24)/t14-/m0/s1
PDB
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UniProtKB/SwissProt

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 906n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468326
PNG
(US10806720, Compound 1006 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cnc(Br)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C15H12BrF3N4O2/c1-14(25,7-23-6-12(16)21-8-23)13(24)22-10-3-2-9(5-20)11(4-10)15(17,18)19/h2-4,6,8,25H,7H2,1H3,(H,22,24)/t14-/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
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UniChem
US Patent
 906n/an/an/an/an/an/an/an/a


TBA

Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM50548632
PNG
(CHEMBL4752477 | US11230523, Compound 1061)
Show SMILES Cc1cn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)nc1Cl |r|
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1.35E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468344
PNG
(US10806720, Compound 1027 | US11230523, Compound 1...)
Show SMILES CC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C20H22F3N5O4/c1-18(2,3)32-17(30)27-14-9-25-28(10-14)11-19(4,31)16(29)26-13-6-5-12(8-24)15(7-13)20(21,22)23/h5-7,9-10,31H,11H2,1-4H3,(H,26,29)(H,27,30)/t19-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1.38E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468344
PNG
(US10806720, Compound 1027 | US11230523, Compound 1...)
Show SMILES CC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C20H22F3N5O4/c1-18(2,3)32-17(30)27-14-9-25-28(10-14)11-19(4,31)16(29)26-13-6-5-12(8-24)15(7-13)20(21,22)23/h5-7,9-10,31H,11H2,1-4H3,(H,26,29)(H,27,30)/t19-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
 1.38E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM534665
PNG
(US11230523, Compound ARN-509 | US11648234, Compoun...)
Show SMILES CC(=O)Nc1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1.45E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM534665
PNG
(US11230523, Compound ARN-509 | US11648234, Compoun...)
Show SMILES CC(=O)Nc1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
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UniChem
 1.45E+3n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468364
PNG
(US10806720, Compound 1063 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cc(nn1)-c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H14F4N6O2/c1-18(31,10-29-9-16(27-28-29)11-2-4-12(20)5-3-11)17(30)26-13-6-14(19(21,22)23)15(7-24)25-8-13/h2-6,8-9,31H,10H2,1H3,(H,26,30)/t18-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
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UniChem
 1.49E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468364
PNG
(US10806720, Compound 1063 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cc(nn1)-c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H14F4N6O2/c1-18(31,10-29-9-16(27-28-29)11-2-4-12(20)5-3-11)17(30)26-13-6-14(19(21,22)23)15(7-24)25-8-13/h2-6,8-9,31H,10H2,1H3,(H,26,30)/t18-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1.49E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468361
PNG
(US10806720, Compound 1055 | US11230523, Compound 1...)
Show SMILES Cc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C16H15F3N4O2/c1-10-7-21-23(8-10)9-15(2,25)14(24)22-12-4-3-11(6-20)13(5-12)16(17,18)19/h3-5,7-8,25H,9H2,1-2H3,(H,22,24)/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1.55E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468361
PNG
(US10806720, Compound 1055 | US11230523, Compound 1...)
Show SMILES Cc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C16H15F3N4O2/c1-10-7-21-23(8-10)9-15(2,25)14(24)22-12-4-3-11(6-20)13(5-12)16(17,18)19/h3-5,7-8,25H,9H2,1-2H3,(H,22,24)/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
 1.55E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468335
PNG
(US10806720, Compound 1016 | US11230523, Compound 1...)
Show SMILES C[C@](O)(CN1CCOCC1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C16H18F3N3O3/c1-15(24,10-22-4-6-25-7-5-22)14(23)21-12-3-2-11(9-20)13(8-12)16(17,18)19/h2-3,8,24H,4-7,10H2,1H3,(H,21,23)/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
 1.88E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468335
PNG
(US10806720, Compound 1016 | US11230523, Compound 1...)
Show SMILES C[C@](O)(CN1CCOCC1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C16H18F3N3O3/c1-15(24,10-22-4-6-25-7-5-22)14(23)21-12-3-2-11(9-20)13(8-12)16(17,18)19/h2-3,8,24H,4-7,10H2,1H3,(H,21,23)/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1.88E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468351
PNG
(US10806720, Compound 1036 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cc(cn1)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C15H12F3N5O4/c1-14(25,8-22-7-11(6-20-22)23(26)27)13(24)21-10-3-2-9(5-19)12(4-10)15(16,17)18/h2-4,6-7,25H,8H2,1H3,(H,21,24)/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
 2.23E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2571GZ9
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM468351
PNG
(US10806720, Compound 1036 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1cc(cn1)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C15H12F3N5O4/c1-14(25,8-22-7-11(6-20-22)23(26)27)13(24)21-10-3-2-9(5-19)12(4-10)15(16,17)18/h2-4,6-7,25H,8H2,1H3,(H,21,24)/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 2.23E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))		BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
PDB
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UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem

Similars
US Patent
 3.64E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0QVN
More data for this
Ligand-Target Pair
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