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Patent code US11046713

Compile Data Set for Download or QSAR
Found 40 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))
BDBM508526
PNG
(N-((S)-1-(3-(3-chloro-4-cyano-2-methylphenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(CCO)n1
Show InChI InChI=1S/C19H18ClN5O2S/c1-12(22-19(27)17-11-28-18(23-17)5-7-26)10-25-6-4-16(24-25)13-2-3-14(9-21)15(20)8-13/h2-4,6,8,11-12,26H,5,7,10H2,1H3,(H,22,27)/t12-/m0/s1
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3n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309973
PNG
((S)-N-(1-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(C)c1)NC(=O)c1cc(n[nH]1)-c1ccco1
Show InChI InChI=1S/C22H20N6O2/c1-14-10-16(5-6-17(14)12-23)18-7-8-28(27-18)13-15(2)24-22(29)20-11-19(25-26-20)21-4-3-9-30-21/h3-11,15H,13H2,1-2H3,(H,24,29)(H,25,26)/t15-/m0/s1
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6n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309982
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc([nH]n1)-c1csc(C)n1
Show InChI InChI=1S/C21H18ClN7OS/c1-12(24-21(30)19-8-18(26-27-19)20-11-31-13(2)25-20)10-29-6-5-17(28-29)14-3-4-15(9-23)16(22)7-14/h3-8,11-12H,10H2,1-2H3,(H,24,30)(H,26,27)/t12-/m0/s1
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8n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309988
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)-c1cn[nH]c1
Show InChI InChI=1S/C20H16ClN7OS/c1-12(25-19(29)18-11-30-20(26-18)15-8-23-24-9-15)10-28-5-4-17(27-28)13-2-3-14(7-22)16(21)6-13/h2-6,8-9,11-12H,10H2,1H3,(H,23,24)(H,25,29)/t12-/m0/s1
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12n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508530
PNG
((R)-N-(2-(3-(4-cyano-3,5-difluorophenyl)-1H-pyrazo...)
Show SMILES C[C@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(F)c1)NC(=O)c1csc(CC#N)n1
Show InChI InChI=1S/C19H14F2N6OS/c1-11(24-19(28)17-10-29-18(25-17)2-4-22)9-27-5-3-16(26-27)12-6-14(20)13(8-23)15(21)7-12/h3,5-7,10-11H,2,9H2,1H3,(H,24,28)/t11-/m1/s1
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12n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508521
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C21H16ClN7O2/c1-13(25-20(30)21-26-19(28-31-21)16-3-2-7-24-11-16)12-29-8-6-18(27-29)14-4-5-15(10-23)17(22)9-14/h2-9,11,13H,12H2,1H3,(H,25,30)/t13-/m0/s1
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13n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508519
PNG
(N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(CCO)n[nH]1
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14n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508534
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1n[nH]c2CCOCc12
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14n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309992
PNG
((S)-N-{1-[3-(3-Chloro-4-cyano-5-fluorophenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1
Show InChI InChI=1S/C18H16ClFN6O/c1-10(23-18(27)17-8-22-11(2)24-17)9-26-4-3-16(25-26)12-5-14(19)13(7-21)15(20)6-12/h3-6,8,10H,9H2,1-2H3,(H,22,24)(H,23,27)/t10-/m0/s1
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16n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309976
PNG
((S)-3-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)=O
Show InChI InChI=1S/C19H17ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1
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16n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508523
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1nc(C)no1
Show InChI InChI=1S/C17H15ClN6O2/c1-10(20-16(25)17-21-11(2)23-26-17)9-24-6-5-15(22-24)12-3-4-13(8-19)14(18)7-12/h3-7,10H,9H2,1-2H3,(H,20,25)/t10-/m0/s1
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17n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309980
PNG
(N-(2-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-yl)e...)
Show SMILES Cc1cc(ccc1C#N)-c1ccn(CCNC(=O)c2cc(n[nH]2)-c2cccnc2)n1
Show InChI InChI=1S/C22H19N7O/c1-15-11-16(4-5-17(15)13-23)19-6-9-29(28-19)10-8-25-22(30)21-12-20(26-27-21)18-3-2-7-24-14-18/h2-7,9,11-12,14H,8,10H2,1H3,(H,25,30)(H,26,27)
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18n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309993
PNG
((S)-N-(1-(3-(3-chloro-4-cyano-5-fluorophenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1cn2cccnc2n1
Show InChI InChI=1S/C20H15ClFN7O/c1-12(25-19(30)18-11-28-5-2-4-24-20(28)26-18)10-29-6-3-17(27-29)13-7-15(21)14(9-23)16(22)8-13/h2-8,11-12H,10H2,1H3,(H,25,30)/t12-/m0/s1
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25n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309978
PNG
(N-(2-(3-(3,4-dicyanophenyl)-1H-pyrazol-1-yl)ethyl)...)
Show SMILES O=C(NCCn1ccc(n1)-c1ccc(C#N)c(c1)C#N)c1cc(n[nH]1)-c1cccnc1
Show InChI InChI=1S/C22H16N8O/c23-12-16-4-3-15(10-18(16)13-24)19-5-8-30(29-19)9-7-26-22(31)21-11-20(27-28-21)17-2-1-6-25-14-17/h1-6,8,10-11,14H,7,9H2,(H,26,31)(H,27,28)
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27n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309986
PNG
((R)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C21H21ClN6O2S/c1-14(24-20(29)19-13-31-21(25-19)27-6-8-30-9-7-27)12-28-5-4-18(26-28)15-2-3-16(11-23)17(22)10-15/h2-5,10,13-14H,6-9,12H2,1H3,(H,24,29)/t14-/m1/s1
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29n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309991
PNG
((S)-N-{1-[3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1
Show InChI InChI=1S/C18H17ClN6O/c1-11(22-18(26)17-9-21-12(2)23-17)10-25-6-5-16(24-25)13-3-4-14(8-20)15(19)7-13/h3-7,9,11H,10H2,1-2H3,(H,21,23)(H,22,26)/t11-/m0/s1
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31n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508524
PNG
(N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1noc(CCO)n1
Show InChI InChI=1S/C18H17ClN6O3/c1-11(21-18(27)17-22-16(5-7-26)28-24-17)10-25-6-4-15(23-25)12-2-3-13(9-20)14(19)8-12/h2-4,6,8,11,26H,5,7,10H2,1H3,(H,21,27)/t11-/m0/s1
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38n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(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)
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40n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309976
PNG
((S)-3-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)=O
Show InChI InChI=1S/C19H17ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1
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40n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508515
PNG
(N-(2-(5-(3,4-dichlorophenyl)furan-2-yl)ethyl)-3-(m...)
Show SMILES Clc1cccc(-c2ccc(CNC(=O)c3cc(n[nH]3)C(=O)N3CCOCC3)o2)c1Cl
Show InChI InChI=1S/C20H18Cl2N4O4/c21-14-3-1-2-13(18(14)22)17-5-4-12(30-17)11-23-19(27)15-10-16(25-24-15)20(28)26-6-8-29-9-7-26/h1-5,10H,6-9,11H2,(H,23,27)(H,24,25)
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62n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508526
PNG
(N-((S)-1-(3-(3-chloro-4-cyano-2-methylphenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(CCO)n1
Show InChI InChI=1S/C19H18ClN5O2S/c1-12(22-19(27)17-11-28-18(23-17)5-7-26)10-25-6-4-16(24-25)13-2-3-14(9-21)15(20)8-13/h2-4,6,8,11-12,26H,5,7,10H2,1H3,(H,22,27)/t12-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309988
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)-c1cn[nH]c1
Show InChI InChI=1S/C20H16ClN7OS/c1-12(25-19(29)18-11-30-20(26-18)15-8-23-24-9-15)10-28-5-4-17(27-28)13-2-3-14(7-22)16(21)6-13/h2-6,8-9,11-12H,10H2,1H3,(H,23,24)(H,25,29)/t12-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508530
PNG
((R)-N-(2-(3-(4-cyano-3,5-difluorophenyl)-1H-pyrazo...)
Show SMILES C[C@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(F)c1)NC(=O)c1csc(CC#N)n1
Show InChI InChI=1S/C19H14F2N6OS/c1-11(24-19(28)17-10-29-18(25-17)2-4-22)9-27-5-3-16(26-27)12-6-14(20)13(8-23)15(21)7-12/h3,5-7,10-11H,2,9H2,1H3,(H,24,28)/t11-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309973
PNG
((S)-N-(1-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(C)c1)NC(=O)c1cc(n[nH]1)-c1ccco1
Show InChI InChI=1S/C22H20N6O2/c1-14-10-16(5-6-17(14)12-23)18-7-8-28(27-18)13-15(2)24-22(29)20-11-19(25-26-20)21-4-3-9-30-21/h3-11,15H,13H2,1-2H3,(H,24,29)(H,25,26)/t15-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309992
PNG
((S)-N-{1-[3-(3-Chloro-4-cyano-5-fluorophenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1
Show InChI InChI=1S/C18H16ClFN6O/c1-10(23-18(27)17-8-22-11(2)24-17)9-26-4-3-16(25-26)12-5-14(19)13(7-21)15(20)6-12/h3-6,8,10H,9H2,1-2H3,(H,22,24)(H,23,27)/t10-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508534
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1n[nH]c2CCOCc12
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508521
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C21H16ClN7O2/c1-13(25-20(30)21-26-19(28-31-21)16-3-2-7-24-11-16)12-29-8-6-18(27-29)14-4-5-15(10-23)17(22)9-14/h2-9,11,13H,12H2,1H3,(H,25,30)/t13-/m0/s1
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309982
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc([nH]n1)-c1csc(C)n1
Show InChI InChI=1S/C21H18ClN7OS/c1-12(24-21(30)19-8-18(26-27-19)20-11-31-13(2)25-20)10-29-6-5-17(28-29)14-3-4-15(9-23)16(22)7-14/h3-8,11-12H,10H2,1-2H3,(H,24,30)(H,26,27)/t12-/m0/s1
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508523
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1nc(C)no1
Show InChI InChI=1S/C17H15ClN6O2/c1-10(20-16(25)17-21-11(2)23-26-17)9-24-6-5-15(22-24)12-3-4-13(8-19)14(18)7-12/h3-7,10H,9H2,1-2H3,(H,20,25)/t10-/m0/s1
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309980
PNG
(N-(2-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-yl)e...)
Show SMILES Cc1cc(ccc1C#N)-c1ccn(CCNC(=O)c2cc(n[nH]2)-c2cccnc2)n1
Show InChI InChI=1S/C22H19N7O/c1-15-11-16(4-5-17(15)13-23)19-6-9-29(28-19)10-8-25-22(30)21-12-20(26-27-21)18-3-2-7-24-14-18/h2-7,9,11-12,14H,8,10H2,1H3,(H,25,30)(H,26,27)
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309986
PNG
((R)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C21H21ClN6O2S/c1-14(24-20(29)19-13-31-21(25-19)27-6-8-30-9-7-27)12-28-5-4-18(26-28)15-2-3-16(11-23)17(22)10-15/h2-5,10,13-14H,6-9,12H2,1H3,(H,24,29)/t14-/m1/s1
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508519
PNG
(N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(CCO)n[nH]1
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309993
PNG
((S)-N-(1-(3-(3-chloro-4-cyano-5-fluorophenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1cn2cccnc2n1
Show InChI InChI=1S/C20H15ClFN7O/c1-12(25-19(30)18-11-28-5-2-4-24-20(28)26-18)10-29-6-3-17(27-29)13-7-15(21)14(9-23)16(22)8-13/h2-8,11-12H,10H2,1H3,(H,25,30)/t12-/m0/s1
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508524
PNG
(N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1noc(CCO)n1
Show InChI InChI=1S/C18H17ClN6O3/c1-11(21-18(27)17-22-16(5-7-26)28-24-17)10-25-6-4-15(23-25)12-2-3-13(9-20)14(19)8-12/h2-4,6,8,11,26H,5,7,10H2,1H3,(H,21,27)/t11-/m0/s1
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309976
PNG
((S)-3-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)=O
Show InChI InChI=1S/C19H17ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309978
PNG
(N-(2-(3-(3,4-dicyanophenyl)-1H-pyrazol-1-yl)ethyl)...)
Show SMILES O=C(NCCn1ccc(n1)-c1ccc(C#N)c(c1)C#N)c1cc(n[nH]1)-c1cccnc1
Show InChI InChI=1S/C22H16N8O/c23-12-16-4-3-15(10-18(16)13-24)19-5-8-30(29-19)9-7-26-22(31)21-11-20(27-28-21)17-2-1-6-25-14-17/h1-6,8,10-11,14H,7,9H2,(H,26,31)(H,27,28)
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309976
PNG
((S)-3-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)=O
Show InChI InChI=1S/C19H17ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM309991
PNG
((S)-N-{1-[3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1
Show InChI InChI=1S/C18H17ClN6O/c1-11(22-18(26)17-9-21-12(2)23-17)10-25-6-5-16(24-25)13-3-4-14(8-20)15(19)7-13/h3-7,9,11H,10H2,1-2H3,(H,21,23)(H,22,26)/t11-/m0/s1
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(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)
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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


(Homo sapiens (Human))
BDBM508515
PNG
(N-(2-(5-(3,4-dichlorophenyl)furan-2-yl)ethyl)-3-(m...)
Show SMILES Clc1cccc(-c2ccc(CNC(=O)c3cc(n[nH]3)C(=O)N3CCOCC3)o2)c1Cl
Show InChI InChI=1S/C20H18Cl2N4O4/c21-14-3-1-2-13(18(14)22)17-5-4-12(30-17)11-23-19(27)15-10-16(25-24-15)20(28)26-6-8-29-9-7-26/h1-5,10H,6-9,11H2,(H,23,27)(H,24,25)
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ORION CORPORATION

US Patent


Assay Description
Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...


US Patent US11046713 (2021)

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