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Patent code US10806720

Compile Data Set for Download or QSAR
Found 76 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50529668
PNG
(ENOBOSARM | Enobosarm | GTX-024 | Gtx-024 | MK-286...)
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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20.2n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50529647
PNG
(CHEMBL4584527 | US10806720, Compound 17)
Show SMILES CN(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C#N)c(c1)-c1ccccc1
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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28.4n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468304
PNG
(US10806720, Compound 100)
Show SMILES C[C@](O)(CN1CCc2cc(Br)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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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198n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468345
PNG
(US10806720, Compound 1028)
Show SMILES C[C@](O)(Cn1cc(N)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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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227n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468329
PNG
(US10806720, Compound 1010)
Show SMILES C[C@](O)(Cn1ccc(c1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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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259n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50529667
PNG
(CHEMBL4444904 | US10806720, Compound 11)
Show SMILES C[C@](O)(Cn1ccc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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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267n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468324
PNG
(US10806720, Compound 1004)
Show SMILES C[C@](O)(Cn1ccc(c1)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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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322n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468321
PNG
(US10806720, Compound 1001)
Show SMILES C[C@](O)(Cn1ccc(c1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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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328n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(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
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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509n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468333
PNG
(US10806720, Compound 1014)
Show SMILES C[C@](O)(Cn1ccc(n1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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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512n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468363
PNG
(US10806720, Compound 1059)
Show SMILES C[C@](O)(Cn1cc(c(F)n1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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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601n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468362
PNG
(US10806720, Compound 1058)
Show SMILES C[C@](O)(Cn1cc(Br)c(F)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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606n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468343
PNG
(US10806720, Compound 1025)
Show SMILES C[C@](O)(Cn1cc(cn1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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612n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468340
PNG
(US10806720, Compound 1021)
Show SMILES C[C@](O)(Cn1ccc(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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633n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468331
PNG
(US10806720, Compound 1012)
Show SMILES C[C@](O)(Cn1ccc(F)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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821n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468336
PNG
(US10806720, Compound 1017)
Show SMILES C[C@](O)(Cn1cc(cn1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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898n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468326
PNG
(US10806720, Compound 1006)
Show SMILES C[C@](O)(Cn1cnc(Br)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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906n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468344
PNG
(US10806720, Compound 1027)
Show SMILES CC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1
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
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1.38E+3n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468302
PNG
(US10806720, Compound ARN-509)
Show SMILES CC(=O)Nc1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H16F4N4O2S/c1-12(31)28-18-6-5-15(10-17(18)23)30-20(33)29(19(32)21(30)7-2-8-21)14-4-3-13(11-27)16(9-14)22(24,25)26/h3-6,9-10H,2,7-8H2,1H3,(H,28,31)
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1.45E+3n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468364
PNG
(US10806720, Compound 1063)
Show SMILES C[C@](O)(Cn1cc(nn1)-c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
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
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1.49E+3n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468361
PNG
(US10806720, Compound 1055)
Show SMILES Cc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1
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
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1.55E+3n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468335
PNG
(US10806720, Compound 1016)
Show SMILES C[C@](O)(CN1CCOCC1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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1.88E+3n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468351
PNG
(US10806720, Compound 1036)
Show SMILES C[C@](O)(Cn1cc(cn1)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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2.23E+3n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(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)
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3.64E+3n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468330
PNG
(US10806720, Compound 1011)
Show SMILES C[C@](O)(Cn1ccc(n1)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O2/c1-20(30,13-28-10-9-18(27-28)14-5-3-2-4-6-14)19(29)26-16-8-7-15(12-25)17(11-16)21(22,23)24/h2-11,30H,13H2,1H3,(H,26,29)/t20-/m0/s1
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3.66E+3n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468352
PNG
(US10806720, Compound 1037)
Show SMILES C[C@](O)(CBr)C(=O)Nc1ccc(nc1)C#N
Show InChI InChI=1S/C10H10BrN3O2/c1-10(16,6-11)9(15)14-8-3-2-7(4-12)13-5-8/h2-3,5,16H,6H2,1H3,(H,14,15)/t10-/m0/s1
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4.55E+3n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468332
PNG
(US10806720, Compound 1013)
Show SMILES C[C@](O)(Cn1cccn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N4O2/c1-14(24,9-22-6-2-5-20-22)13(23)21-11-4-3-10(8-19)12(7-11)15(16,17)18/h2-7,24H,9H2,1H3,(H,21,23)/t14-/m0/s1
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7.40E+3n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468334
PNG
(US10806720, Compound 1015)
Show SMILES C[C@](O)(Cn1ccc(n1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2/c1-20(31,12-29-9-8-18(28-29)13-2-5-15(22)6-3-13)19(30)27-16-7-4-14(11-26)17(10-16)21(23,24)25/h2-10,31H,12H2,1H3,(H,27,30)/t20-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468359
PNG
(US10806720, Compound 1050)
Show SMILES C[C@](O)(Cn1cc(Br)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H12BrF3N4O2/c1-14(25,8-23-7-10(16)6-21-23)13(24)22-11-3-2-9(5-20)12(4-11)15(17,18)19/h2-4,6-7,25H,8H2,1H3,(H,22,24)/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50529668
PNG
(ENOBOSARM | Enobosarm | GTX-024 | Gtx-024 | MK-286...)
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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n/an/a 20n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468351
PNG
(US10806720, Compound 1036)
Show SMILES C[C@](O)(Cn1cc(cn1)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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n/an/a 36.2n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468356
PNG
(US10806720, Compound 1043)
Show SMILES C[C@](O)(Cn1cc(cn1)C(F)(F)F)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H11F6N5O2/c1-13(28,7-26-6-8(4-24-26)14(16,17)18)12(27)25-9-2-10(15(19,20)21)11(3-22)23-5-9/h2,4-6,28H,7H2,1H3,(H,25,27)/t13-/m0/s1
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n/an/a 57.9n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50529667
PNG
(CHEMBL4444904 | US10806720, Compound 11)
Show SMILES C[C@](O)(Cn1ccc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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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n/an/a 85.1n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468341
PNG
(US10806720, Compound 1022)
Show SMILES C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H11F4N5O2/c1-13(25,7-23-6-8(15)4-21-23)12(24)22-9-2-10(14(16,17)18)11(3-19)20-5-9/h2,4-6,25H,7H2,1H3,(H,22,24)/t13-/m0/s1
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n/an/a 92.2n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50529647
PNG
(CHEMBL4584527 | US10806720, Compound 17)
Show SMILES CN(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C#N)c(c1)-c1ccccc1
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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n/an/a 95n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468362
PNG
(US10806720, Compound 1058)
Show SMILES C[C@](O)(Cn1cc(Br)c(F)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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n/an/a 132n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468326
PNG
(US10806720, Compound 1006)
Show SMILES C[C@](O)(Cn1cnc(Br)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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n/an/a 149n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468324
PNG
(US10806720, Compound 1004)
Show SMILES C[C@](O)(Cn1ccc(c1)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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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n/an/a 179n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468339
PNG
(US10806720, Compound 1020)
Show SMILES C[C@@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H12F4N4O2/c1-14(25,8-23-7-10(16)6-21-23)13(24)22-11-3-2-9(5-20)12(4-11)15(17,18)19/h2-4,6-7,25H,8H2,1H3,(H,22,24)/t14-/m1/s1
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n/an/a 192n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468322
PNG
(US10806720, Compound 1002)
Show SMILES C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H12F4N4O2/c1-14(25,8-23-7-10(16)6-21-23)13(24)22-11-3-2-9(5-20)12(4-11)15(17,18)19/h2-4,6-7,25H,8H2,1H3,(H,22,24)/t14-/m0/s1
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n/an/a 199n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468333
PNG
(US10806720, Compound 1014)
Show SMILES C[C@](O)(Cn1ccc(n1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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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n/an/a 205n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(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)
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n/an/a 216n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468364
PNG
(US10806720, Compound 1063)
Show SMILES C[C@](O)(Cn1cc(nn1)-c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
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
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n/an/a 217n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468331
PNG
(US10806720, Compound 1012)
Show SMILES C[C@](O)(Cn1ccc(F)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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n/an/a 219n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468329
PNG
(US10806720, Compound 1010)
Show SMILES C[C@](O)(Cn1ccc(c1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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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n/an/a 226n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(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
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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n/an/a 248n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468358
PNG
(US10806720, Compound 1045)
Show SMILES C[C@](O)(Cn1cc(nn1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O2/c1-19(31,11-29-10-17(27-28-29)12-2-5-14(21)6-3-12)18(30)26-15-7-4-13(9-25)16(8-15)20(22,23)24/h2-8,10,31H,11H2,1H3,(H,26,30)/t19-/m0/s1
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n/an/a 251n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468363
PNG
(US10806720, Compound 1059)
Show SMILES C[C@](O)(Cn1cc(c(F)n1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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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n/an/a 285n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468357
PNG
(US10806720, Compound 1044)
Show SMILES C[C@](O)(Cn1nncc1-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O2/c1-19(31,11-29-17(10-26-28-29)12-2-5-14(21)6-3-12)18(30)27-15-7-4-13(9-25)16(8-15)20(22,23)24/h2-8,10,31H,11H2,1H3,(H,27,30)/t19-/m0/s1
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n/an/a 317n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468352
PNG
(US10806720, Compound 1037)
Show SMILES C[C@](O)(CBr)C(=O)Nc1ccc(nc1)C#N
Show InChI InChI=1S/C10H10BrN3O2/c1-10(16,6-11)9(15)14-8-3-2-7(4-12)13-5-8/h2-3,5,16H,6H2,1H3,(H,14,15)/t10-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468336
PNG
(US10806720, Compound 1017)
Show SMILES C[C@](O)(Cn1cc(cn1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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n/an/a 404n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468359
PNG
(US10806720, Compound 1050)
Show SMILES C[C@](O)(Cn1cc(Br)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H12BrF3N4O2/c1-14(25,8-23-7-10(16)6-21-23)13(24)22-11-3-2-9(5-20)12(4-11)15(17,18)19/h2-4,6-7,25H,8H2,1H3,(H,22,24)/t14-/m0/s1
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n/an/a 427n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468342
PNG
(US10806720, Compound 1024)
Show SMILES CC(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H12F4N4O/c1-9(7-23-8-11(16)6-21-23)14(24)22-12-3-2-10(5-20)13(4-12)15(17,18)19/h2-4,6,8-9H,7H2,1H3,(H,22,24)
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n/an/a 464n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468304
PNG
(US10806720, Compound 100)
Show SMILES C[C@](O)(CN1CCc2cc(Br)ccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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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n/an/a 531n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468350
PNG
(US10806720, Compound 1035)
Show SMILES CC(=O)c1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C17H15F3N4O3/c1-10(25)12-7-22-24(8-12)9-16(2,27)15(26)23-13-4-3-11(6-21)14(5-13)17(18,19)20/h3-5,7-8,27H,9H2,1-2H3,(H,23,26)/t16-/m0/s1
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n/an/a 758n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468349
PNG
(US10806720, Compound 1034)
Show SMILES COC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C17H16F3N5O4/c1-16(28,9-25-8-12(7-22-25)24-15(27)29-2)14(26)23-11-4-3-10(6-21)13(5-11)17(18,19)20/h3-5,7-8,28H,9H2,1-2H3,(H,23,26)(H,24,27)/t16-/m0/s1
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n/an/a 827n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468348
PNG
(US10806720, Compound 1032)
Show SMILES C[C@@](Cn1cc(N)cn1)(OC(=O)CCl)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H15ClF3N5O3/c1-16(29-14(27)5-18,9-26-8-11(23)7-24-26)15(28)25-12-3-2-10(6-22)13(4-12)17(19,20)21/h2-4,7-8H,5,9,23H2,1H3,(H,25,28)/t16-/m0/s1
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n/an/a 901n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468327
PNG
(US10806720, Compound 1007)
Show SMILES C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C14H12ClFN4O2/c1-14(22,8-20-7-10(16)6-18-20)13(21)19-11-3-2-9(5-17)12(15)4-11/h2-4,6-7,22H,8H2,1H3,(H,19,21)/t14-/m0/s1
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n/an/a 959n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468343
PNG
(US10806720, Compound 1025)
Show SMILES C[C@](O)(Cn1cc(cn1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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n/an/a 969n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468338
PNG
(US10806720, Compound 1019)
Show SMILES C[C@](O)(Cn1cnc(n1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H11F6N5O2/c1-13(28,6-26-7-23-11(25-26)15(19,20)21)12(27)24-9-3-2-8(5-22)10(4-9)14(16,17)18/h2-4,7,28H,6H2,1H3,(H,24,27)/t13-/m0/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468335
PNG
(US10806720, Compound 1016)
Show SMILES C[C@](O)(CN1CCOCC1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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
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n/an/a 1.02E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468325
PNG
(US10806720, Compound 1005)
Show SMILES C[C@](O)(Cn1cncc1Br)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H12BrF3N4O2/c1-14(25,7-23-8-21-6-12(23)16)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
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n/an/a 1.02E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468337
PNG
(US10806720, Compound 1018)
Show SMILES C[C@](O)(Cn1cncn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H12F3N5O2/c1-13(24,6-22-8-19-7-20-22)12(23)21-10-3-2-9(5-18)11(4-10)14(15,16)17/h2-4,7-8,24H,6H2,1H3,(H,21,23)/t13-/m0/s1
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n/an/a 1.09E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468323
PNG
(US10806720, Compound 1003)
Show SMILES C[C@](O)(Cn1cc(cn1)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O2/c1-20(30,13-28-12-16(11-26-28)14-5-3-2-4-6-14)19(29)27-17-8-7-15(10-25)18(9-17)21(22,23)24/h2-9,11-12,30H,13H2,1H3,(H,27,29)/t20-/m0/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468344
PNG
(US10806720, Compound 1027)
Show SMILES CC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1
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
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n/an/a 1.15E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468332
PNG
(US10806720, Compound 1013)
Show SMILES C[C@](O)(Cn1cccn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N4O2/c1-14(24,9-22-6-2-5-20-22)13(23)21-11-4-3-10(8-19)12(7-11)15(16,17)18/h2-7,24H,9H2,1H3,(H,21,23)/t14-/m0/s1
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n/an/a 1.44E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468334
PNG
(US10806720, Compound 1015)
Show SMILES C[C@](O)(Cn1ccc(n1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2/c1-20(31,12-29-9-8-18(28-29)13-2-5-15(22)6-3-13)19(30)27-16-7-4-14(11-26)17(10-16)21(23,24)25/h2-10,31H,12H2,1H3,(H,27,30)/t20-/m0/s1
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n/an/a 1.74E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468354
PNG
(US10806720, Compound 1039)
Show SMILES C[C@](O)(CBr)C(=O)Nc1ccc2ncncc2c1
Show InChI InChI=1S/C12H12BrN3O2/c1-12(18,6-13)11(17)16-9-2-3-10-8(4-9)5-14-7-15-10/h2-5,7,18H,6H2,1H3,(H,16,17)/t12-/m0/s1
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n/an/a 1.75E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468328
PNG
(US10806720, Compound 1008)
Show SMILES C[C@](O)(Cn1ccnc1)C(=O)Nc1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C14H13ClN4O2/c1-14(21,8-19-5-4-17-9-19)13(20)18-11-3-2-10(7-16)12(15)6-11/h2-6,9,21H,8H2,1H3,(H,18,20)/t14-/m0/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468346
PNG
(US10806720, Compound 1029)
Show SMILES Fc1cnn(CCC(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C14H10F4N4O/c15-10-7-20-22(8-10)4-3-13(23)21-11-2-1-9(6-19)12(5-11)14(16,17)18/h1-2,5,7-8H,3-4H2,(H,21,23)
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n/an/a 2.12E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468355
PNG
(US10806720, Compound 1041)
Show SMILES C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccnc(Cl)c1
Show InChI InChI=1S/C12H12ClFN4O2/c1-12(20,7-18-6-8(14)5-16-18)11(19)17-9-2-3-15-10(13)4-9/h2-6,20H,7H2,1H3,(H,15,17,19)/t12-/m0/s1
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n/an/a 2.47E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468353
PNG
(US10806720, Compound 1038)
Show SMILES C[C@](O)(CBr)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C11H9BrF3N3O2/c1-10(20,5-12)9(19)18-6-2-7(11(13,14)15)8(3-16)17-4-6/h2,4,20H,5H2,1H3,(H,18,19)/t10-/m0/s1
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n/an/a 2.49E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468330
PNG
(US10806720, Compound 1011)
Show SMILES C[C@](O)(Cn1ccc(n1)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O2/c1-20(30,13-28-10-9-18(27-28)14-5-3-2-4-6-14)19(29)26-16-8-7-15(12-25)17(11-16)21(22,23)24/h2-11,30H,13H2,1H3,(H,26,29)/t20-/m0/s1
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n/an/a 4.77E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468360
PNG
(US10806720, Compound 1052)
Show SMILES C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cc(c(cc1I)C#N)C(F)(F)F
Show InChI InChI=1S/C15H11F4IN4O2/c1-14(26,7-24-6-9(16)5-22-24)13(25)23-12-3-10(15(17,18)19)8(4-21)2-11(12)20/h2-3,5-6,26H,7H2,1H3,(H,23,25)/t14-/m0/s1
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n/an/a 5.45E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468347
PNG
(US10806720, Compound 1030)
Show SMILES CC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2cnc(C#N)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C19H21F3N6O4/c1-17(2,3)32-16(30)27-12-8-25-28(9-12)10-18(4,31)15(29)26-11-5-13(19(20,21)22)14(6-23)24-7-11/h5,7-9,31H,10H2,1-4H3,(H,26,29)(H,27,30)/t18-/m0/s1
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n/an/a 6.11E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM468361
PNG
(US10806720, Compound 1055)
Show SMILES Cc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c1
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
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n/an/a 8.09E+3n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: 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 w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%