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Patent code US10053433

Compile Data Set for Download or QSAR
Found 20 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen Receptor


(Homo sapiens (human))
BDBM238895
PNG
(US10053433, Casodex (CDX) | US10053433, FC 4.037 (...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM238895
PNG
(US10053433, Casodex (CDX) | US10053433, FC 4.037 (...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM238895
PNG
(US10053433, Casodex (CDX) | US10053433, FC 4.037 (...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM239191
PNG
(US10053433, FC 3.077)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(cn1)C#N)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-11(18)3-5-12)15(25)24-14-6-13(17(19,20)21)10(7-22)8-23-14/h2-6,8,26H,9H2,1H3,(H,23,24,25)/t16-/m0/s1
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n/an/a 490n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM242618
PNG
(US10053433, FC 4.025)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(S(=O)(=O)C=C)S(=O)(=O)C=C)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H21F4NO8S3/c1-4-36(30,31)19(37(32,33)5-2)17-11-8-15(12-18(17)22(24,25)26)27-20(28)21(3,29)13-38(34,35)16-9-6-14(23)7-10-16/h4-12,19,29H,1-2,13H2,3H3,(H,27,28)/t21-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM242588
PNG
(US10053433, FC 4.039)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)CCl)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H17ClF4N2O5S/c1-18(29,10-32(30,31)13-5-2-11(21)3-6-13)17(28)25-12-4-7-15(26-16(27)9-20)14(8-12)19(22,23)24/h2-8,29H,9-10H2,1H3,(H,25,28)(H,26,27)/t18-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM238895
PNG
(US10053433, Casodex (CDX) | US10053433, FC 4.037 (...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM242618
PNG
(US10053433, FC 4.025)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(S(=O)(=O)C=C)S(=O)(=O)C=C)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H21F4NO8S3/c1-4-36(30,31)19(37(32,33)5-2)17-11-8-15(12-18(17)22(24,25)26)27-20(28)21(3,29)13-38(34,35)16-9-6-14(23)7-10-16/h4-12,19,29H,1-2,13H2,3H3,(H,27,28)/t21-/m0/s1
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n/an/a 1.29E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM239363
PNG
(US10053433, FC 4.126)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C16H14F4N2O4S/c1-15(24,9-27(25,26)12-4-2-11(17)3-5-12)14(23)22-13-8-10(6-7-21-13)16(18,19)20/h2-8,24H,9H2,1H3,(H,21,22,23)/t15-/m0/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | Xtandi)
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 1.94E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM239316
PNG
(US10053433, FC 4.116)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C16H14F4N2O4S/c1-15(24,9-27(25,26)13-4-2-11(17)3-5-13)14(23)22-12-6-10(7-21-8-12)16(18,19)20/h2-8,24H,9H2,1H3,(H,22,23)/t15-/m0/s1
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n/an/a 2.53E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50094975
PNG
(956104-40-8 | ARN-509 | JNJ-56021927 | US10053433,...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)
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n/an/a 3.11E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50094975
PNG
(956104-40-8 | ARN-509 | JNJ-56021927 | US10053433,...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)
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n/an/a 3.28E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM242578
PNG
(US10053433, FC 4.127)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(cn1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C16H13F4N3O6S/c1-15(25,8-30(28,29)10-4-2-9(17)3-5-10)14(24)22-13-6-11(16(18,19)20)12(7-21-13)23(26)27/h2-7,25H,8H2,1H3,(H,21,22,24)/t15-/m0/s1
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n/an/a 7.26E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | Xtandi)
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 8.61E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM242578
PNG
(US10053433, FC 4.127)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(cn1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C16H13F4N3O6S/c1-15(25,8-30(28,29)10-4-2-9(17)3-5-10)14(24)22-13-6-11(16(18,19)20)12(7-21-13)23(26)27/h2-7,25H,8H2,1H3,(H,21,22,24)/t15-/m0/s1
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n/an/a 8.74E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM239363
PNG
(US10053433, FC 4.126)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C16H14F4N2O4S/c1-15(24,9-27(25,26)12-4-2-11(17)3-5-12)14(23)22-13-8-10(6-7-21-13)16(18,19)20/h2-8,24H,9H2,1H3,(H,21,22,23)/t15-/m0/s1
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n/an/a 1.24E+4n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50094975
PNG
(956104-40-8 | ARN-509 | JNJ-56021927 | US10053433,...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)
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n/an/a 1.95E+4n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM239507
PNG
(US10053433, FC 4.125)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C17H14F4N2O6S/c1-16(25,9-30(28,29)12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1
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n/an/a 2.24E+4n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM239316
PNG
(US10053433, FC 4.116)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C16H14F4N2O4S/c1-15(24,9-27(25,26)13-4-2-11(17)3-5-13)14(23)22-12-6-10(7-21-8-12)16(18,19)20/h2-8,24H,9H2,1H3,(H,22,23)/t15-/m0/s1
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n/an/a 7.17E+4n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)

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Ligand-Target Pair
* indicates data uncertainty>20%