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Compile Data Set for Download or QSAR

Found 40 hits of Enz. Inhib. data with enzyme = 'Androgen receptor (AR)' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309987
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)c1C)NC(=O)c1csc(n1)C(C)O
Show InChI InChI=1S/C20H20ClN5O2S/c1-11(23-19(28)17-10-29-20(24-17)13(3)27)9-26-7-6-16(25-26)15-5-4-14(8-22)18(21)12(15)2/h4-7,10-11,13,27H,9H2,1-3H3,(H,23,28)/t11-,13?/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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309990
PNG
((R)-N-(2-(3-(4-cyano-3,5-difluorophenyl)-1H-pyrazo...)
Show SMILES C[C@H](CNC(=O)c1csc(CC#N)n1)n1ccc(n1)-c1cc(F)c(C#N)c(F)c1
Show InChI InChI=1S/C19H14F2N6OS/c1-11(9-24-19(28)17-10-29-18(25-17)2-4-22)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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309981
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES CCc1noc(n1)C(=O)N[C@@H](C)Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C18H17ClN6O2/c1-3-16-22-18(27-24-16)17(26)21-11(2)10-25-7-6-15(23-25)12-4-5-13(9-20)14(19)8-12/h4-8,11H,3,10H2,1-2H3,(H,21,26)/t11-/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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309979
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(n[nH]1)C(C)O
Show InChI InChI=1S/C19H19ClN6O2/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/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1
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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309995
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)c1[nH]nc2CCOCc12
Show InChI InChI=1S/C20H19ClN6O2/c1-12(23-20(28)19-15-11-29-7-5-18(15)24-25-19)10-27-6-4-17(26-27)13-2-3-14(9-22)16(21)8-13/h2-4,6,8,12H,5,7,10-11H2,1H3,(H,23,28)(H,24,25)/t12-/m0/s1
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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309983
PNG
(N-((R)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES CC[C@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)O
Show InChI InChI=1S/C20H21ClN6O2/c1-3-15(23-20(29)19-9-18(12(2)28)24-25-19)11-27-7-6-17(26-27)13-4-5-14(10-22)16(21)8-13/h4-9,12,15,28H,3,11H2,1-2H3,(H,23,29)(H,24,25)/t12?,15-/m1/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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309985
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(on1)C(C)O
Show InChI InChI=1S/C19H18ClN5O3/c1-11(22-19(27)17-8-18(12(2)26)28-24-17)10-25-6-5-16(23-25)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,26H,10H2,1-2H3,(H,22,27)/t11-,12?/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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309994
PNG
(US9657003, Bicalutamide)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)[c](=O):c:n-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F4N2O4S/c1-18(27,11-30(28,29)15-6-3-13(20)4-7-15)17(26)10-25-14-5-2-12(9-24)16(8-14)19(21,22)23/h2-8,10,27H,11H2,1H3/b25-10+
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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309989
PNG
((S)-3-acetyl-N-(2-(3-(4-cyano-3,5-difluorophenyl)-...)
Show SMILES C[C@@H](CNC(=O)c1cc(n[nH]1)C(C)=O)n1ccc(n1)-c1cc(F)c(C#N)c(F)c1
Show InChI InChI=1S/C19H16F2N6O2/c1-10(9-23-19(29)18-7-17(11(2)28)24-25-18)27-4-3-16(26-27)12-5-14(20)13(8-22)15(21)6-12/h3-7,10H,9H2,1-2H3,(H,23,29)(H,24,25)/t10-/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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309972
PNG
(N-(2-(5-(3,4-dichlorophenyl)furan-2-yl)ethyl)-3-(m...)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(CCNC(=O)c2cc(n[nH]2)C(=O)N2CCOCC2)o1
Show InChI InChI=1S/C21H20Cl2N4O4/c22-15-3-1-13(11-16(15)23)19-4-2-14(31-19)5-6-24-20(28)17-12-18(26-25-17)21(29)27-7-9-30-10-8-27/h1-4,11-12H,5-10H2,(H,24,28)(H,25,26)
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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309987
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)c1C)NC(=O)c1csc(n1)C(C)O
Show InChI InChI=1S/C20H20ClN5O2S/c1-11(23-19(28)17-10-29-20(24-17)13(3)27)9-26-7-6-16(25-26)15-5-4-14(8-22)18(21)12(15)2/h4-7,10-11,13,27H,9H2,1-3H3,(H,23,28)/t11-,13?/m0/s1
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n/an/a 11n/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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309990
PNG
((R)-N-(2-(3-(4-cyano-3,5-difluorophenyl)-1H-pyrazo...)
Show SMILES C[C@H](CNC(=O)c1csc(CC#N)n1)n1ccc(n1)-c1cc(F)c(C#N)c(F)c1
Show InChI InChI=1S/C19H14F2N6OS/c1-11(9-24-19(28)17-10-29-18(25-17)2-4-22)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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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309995
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)c1[nH]nc2CCOCc12
Show InChI InChI=1S/C20H19ClN6O2/c1-12(23-20(28)19-15-11-29-7-5-18(15)24-25-19)10-27-6-4-17(26-27)13-2-3-14(9-22)16(21)8-13/h2-4,6,8,12H,5,7,10-11H2,1H3,(H,23,28)(H,24,25)/t12-/m0/s1
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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309981
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES CCc1noc(n1)C(=O)N[C@@H](C)Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C18H17ClN6O2/c1-3-16-22-18(27-24-16)17(26)21-11(2)10-25-7-6-15(23-25)12-4-5-13(9-20)14(19)8-12/h4-8,11H,3,10H2,1-2H3,(H,21,26)/t11-/m0/s1
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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309983
PNG
(N-((R)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES CC[C@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)O
Show InChI InChI=1S/C20H21ClN6O2/c1-3-15(23-20(29)19-9-18(12(2)28)24-25-19)11-27-7-6-17(26-27)13-4-5-14(10-22)16(21)8-13/h4-9,12,15,28H,3,11H2,1-2H3,(H,23,29)(H,24,25)/t12?,15-/m1/s1
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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309979
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(n[nH]1)C(C)O
Show InChI InChI=1S/C19H19ClN6O2/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/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1
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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309985
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(on1)C(C)O
Show InChI InChI=1S/C19H18ClN5O3/c1-11(22-19(27)17-8-18(12(2)26)28-24-17)10-25-6-5-16(23-25)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,26H,10H2,1-2H3,(H,22,27)/t11-,12?/m0/s1
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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309989
PNG
((S)-3-acetyl-N-(2-(3-(4-cyano-3,5-difluorophenyl)-...)
Show SMILES C[C@@H](CNC(=O)c1cc(n[nH]1)C(C)=O)n1ccc(n1)-c1cc(F)c(C#N)c(F)c1
Show InChI InChI=1S/C19H16F2N6O2/c1-10(9-23-19(29)18-7-17(11(2)28)24-25-18)27-4-3-16(26-27)12-5-14(20)13(8-22)15(21)6-12/h3-7,10H,9H2,1-2H3,(H,23,29)(H,24,25)/t10-/m0/s1
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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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

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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(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

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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309994
PNG
(US9657003, Bicalutamide)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)[c](=O):c:n-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F4N2O4S/c1-18(27,11-30(28,29)15-6-3-13(20)4-7-15)17(26)10-25-14-5-2-12(9-24)16(8-14)19(21,22)23/h2-8,10,27H,11H2,1H3/b25-10+
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ORION CORPORATION

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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 US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309972
PNG
(N-(2-(5-(3,4-dichlorophenyl)furan-2-yl)ethyl)-3-(m...)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(CCNC(=O)c2cc(n[nH]2)C(=O)N2CCOCC2)o1
Show InChI InChI=1S/C21H20Cl2N4O4/c22-15-3-1-13(11-16(15)23)19-4-2-14(31-19)5-6-24-20(28)17-12-18(26-25-17)21(29)27-7-9-30-10-8-27/h1-4,11-12H,5-10H2,(H,24,28)(H,25,26)
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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 US9657003 (2017)

More data for this
Ligand-Target Pair