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Patent code US9428460

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/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Androgen receptor [E709Y]


(Homo sapiens (Human))		BDBM245167
PNG
(US9428460, 23)
Show SMILES Fc1cccc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:13.17,wD:10.10,(5.33,8.47,;5.33,6.93,;6.67,6.16,;6.67,4.62,;5.33,3.85,;4,4.62,;4,6.16,;2.67,3.85,;1.33,4.62,;2.67,2.31,;1.33,1.54,;,2.31,;-1.33,1.54,;-1.33,,;,-.77,;1.33,,;-2.67,-.77,;-2.67,-2.31,;-1.33,-3.08,;-1.33,-4.62,;-2.67,-5.39,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-6.67,-3.08,;-5.33,-2.31,;-4,-3.08,;-5.33,-6.93,;-5.33,-8.47,)|
Show InChI InChI=1S/C23H20FN3O2/c24-17-5-1-3-15(13-17)23(28)27-18-7-9-19(10-8-18)29-21-11-12-26-22-16(14-25)4-2-6-20(21)22/h1-6,11-13,18-19H,7-10H2,(H,27,28)/t18-,19-
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US Patent
n/an/a 9n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
PC-3 cells (Kaighn et al., Invest. Urol. 17: 16-23, 1979) were plated out at a density of 10000 cells per well of a 96-well cell culture plate in RMP...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor [E709Y]


(Homo sapiens (Human))		BDBM245168
PNG
(US9428460, 24)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;4.67,8.47,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|
Show InChI InChI=1S/C23H19F2N3O2/c24-19-9-4-14(12-20(19)25)23(29)28-16-5-7-17(8-6-16)30-21-10-11-27-22-15(13-26)2-1-3-18(21)22/h1-4,9-12,16-17H,5-8H2,(H,28,29)/t16-,17-
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n/an/a 14n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
PC-3 cells (Kaighn et al., Invest. Urol. 17: 16-23, 1979) were plated out at a density of 10000 cells per well of a 96-well cell culture plate in RMP...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245170
PNG
(US9428460, 26)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:12.16,wD:9.9,(6.38,8.22,;5.61,6.89,;4.15,6.41,;4.15,4.87,;5.61,4.39,;6.52,5.64,;2.82,4.1,;1.48,4.87,;2.82,2.56,;1.48,1.79,;.15,2.56,;-1.18,1.79,;-1.18,.25,;.15,-.52,;1.48,.25,;-2.52,-.52,;-2.52,-2.06,;-1.18,-2.83,;-1.18,-4.37,;-2.52,-5.14,;-3.85,-4.37,;-5.19,-5.14,;-6.52,-4.37,;-6.52,-2.83,;-5.19,-2.06,;-3.85,-2.83,;-5.19,-6.68,;-5.19,-8.22,)|
Show InChI InChI=1S/C21H20N4O3/c1-13-11-18(25-28-13)21(26)24-15-5-7-16(8-6-15)27-19-9-10-23-20-14(12-22)3-2-4-17(19)20/h2-4,9-11,15-16H,5-8H2,1H3,(H,24,26)/t15-,16-
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n/an/a 18n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245146
PNG
(US9428460, 2)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:12.16,wD:9.9,(6.38,7.45,;5.61,6.12,;4.15,5.64,;4.15,4.1,;5.61,3.62,;6.52,4.87,;2.82,3.33,;1.48,4.1,;2.82,1.79,;1.48,1.02,;.15,1.79,;-1.18,1.02,;-1.18,-.52,;.15,-1.29,;1.48,-.52,;-2.52,-1.29,;-2.52,-2.83,;-1.18,-3.6,;-1.18,-5.14,;-2.52,-5.91,;-3.85,-5.14,;-5.19,-5.91,;-5.19,-7.45,;-6.52,-5.14,;-6.52,-3.6,;-5.19,-2.83,;-3.85,-3.6,)|
Show InChI InChI=1S/C20H20BrN3O3/c1-12-11-17(24-27-12)20(25)23-13-5-7-14(8-6-13)26-18-9-10-22-19-15(18)3-2-4-16(19)21/h2-4,9-11,13-14H,5-8H2,1H3,(H,23,25)/t13-,14-
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n/an/a 20n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor [W742C]


(Homo sapiens (Human))		BDBM245167
PNG
(US9428460, 23)
Show SMILES Fc1cccc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:13.17,wD:10.10,(5.33,8.47,;5.33,6.93,;6.67,6.16,;6.67,4.62,;5.33,3.85,;4,4.62,;4,6.16,;2.67,3.85,;1.33,4.62,;2.67,2.31,;1.33,1.54,;,2.31,;-1.33,1.54,;-1.33,,;,-.77,;1.33,,;-2.67,-.77,;-2.67,-2.31,;-1.33,-3.08,;-1.33,-4.62,;-2.67,-5.39,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-6.67,-3.08,;-5.33,-2.31,;-4,-3.08,;-5.33,-6.93,;-5.33,-8.47,)|
Show InChI InChI=1S/C23H20FN3O2/c24-17-5-1-3-15(13-17)23(28)27-18-7-9-19(10-8-18)29-21-11-12-26-22-16(14-25)4-2-6-20(21)22/h1-6,11-13,18-19H,7-10H2,(H,27,28)/t18-,19-
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n/an/a 30n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
PC-3 cells (Kaighn et al., Invest. Urol. 17: 16-23, 1979) were plated out at a density of 10000 cells per well of a 96-well cell culture plate in RMP...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245163
PNG
(US9428460, 19)
Show SMILES Fc1cccc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:13.17,wD:10.10,(7.34,3.08,;6,3.85,;6,5.39,;4.67,6.16,;3.33,5.39,;3.33,3.85,;4.67,3.08,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-4.67,-5.39,;-6,-6.16,;-7.34,-5.39,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,)|
Show InChI InChI=1S/C22H21FN2O2/c23-16-5-3-4-15(14-16)22(26)25-17-8-10-18(11-9-17)27-21-12-13-24-20-7-2-1-6-19(20)21/h1-7,12-14,17-18H,8-11H2,(H,25,26)/t17-,18-
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n/an/a 32n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245174
PNG
(US9428460, 30)
Show SMILES Fc1cc(F)cc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(4.67,8.47,;4.67,6.93,;6,6.16,;6,4.62,;7.34,3.85,;4.67,3.85,;3.33,4.62,;3.33,6.16,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|
Show InChI InChI=1S/C23H19F2N3O2/c24-16-10-15(11-17(25)12-16)23(29)28-18-4-6-19(7-5-18)30-21-8-9-27-22-14(13-26)2-1-3-20(21)22/h1-3,8-12,18-19H,4-7H2,(H,28,29)/t18-,19-
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n/an/a 39n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245147
PNG
(US9428460, 3)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:14.18,wD:11.11,(8,5,;6.67,4.23,;5.33,5,;4,4.23,;4,2.69,;5.33,1.93,;6.67,2.69,;8,1.93,;2.67,1.93,;2.67,.39,;1.33,2.69,;,1.93,;-1.33,2.69,;-2.67,1.93,;-2.67,.38,;-1.33,-.38,;,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-2.67,-4.23,;-4,-5,;-5.33,-4.23,;-6.67,-5,;-8,-4.23,;-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,)|
Show InChI InChI=1S/C22H20F2N2O2/c23-18-10-5-14(13-19(18)24)22(27)26-15-6-8-16(9-7-15)28-21-11-12-25-20-4-2-1-3-17(20)21/h1-5,10-13,15-16H,6-9H2,(H,26,27)/t15-,16-
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n/an/a 45n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245172
PNG
(US9428460, 28)
Show SMILES Cc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;4.67,8.47,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|
Show InChI InChI=1S/C24H22FN3O2/c1-15-5-6-16(13-21(15)25)24(29)28-18-7-9-19(10-8-18)30-22-11-12-27-23-17(14-26)3-2-4-20(22)23/h2-6,11-13,18-19H,7-10H2,1H3,(H,28,29)/t18-,19-
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n/an/a 45n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245167
PNG
(US9428460, 23)
Show SMILES Fc1cccc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:13.17,wD:10.10,(5.33,8.47,;5.33,6.93,;6.67,6.16,;6.67,4.62,;5.33,3.85,;4,4.62,;4,6.16,;2.67,3.85,;1.33,4.62,;2.67,2.31,;1.33,1.54,;,2.31,;-1.33,1.54,;-1.33,,;,-.77,;1.33,,;-2.67,-.77,;-2.67,-2.31,;-1.33,-3.08,;-1.33,-4.62,;-2.67,-5.39,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-6.67,-3.08,;-5.33,-2.31,;-4,-3.08,;-5.33,-6.93,;-5.33,-8.47,)|
Show InChI InChI=1S/C23H20FN3O2/c24-17-5-1-3-15(13-17)23(28)27-18-7-9-19(10-8-18)29-21-11-12-26-22-16(14-25)4-2-6-20(21)22/h1-6,11-13,18-19H,7-10H2,(H,27,28)/t18-,19-
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n/an/a 52n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor [E709Y]


(Homo sapiens (Human))		BDBM245153
PNG
(US9428460, 9)
Show SMILES Fc1ccc(cc1F)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:15.19,wD:12.12,(8.67,,;7.34,.77,;6,,;4.67,.77,;4.67,2.31,;6,3.08,;7.34,2.31,;8.67,3.08,;3.33,3.08,;3.33,4.62,;2,2.31,;.67,3.08,;-.67,2.31,;-2,3.08,;-3.33,2.31,;-3.33,.77,;-2,,;-.67,.77,;-4.67,,;-4.67,-1.54,;-3.33,-2.31,;-3.33,-3.85,;-4.67,-4.62,;-6,-3.85,;-7.34,-4.62,;-8.67,-3.85,;-8.67,-2.31,;-7.34,-1.54,;-6,-2.31,)|
Show InChI InChI=1S/C23H22F2N2O2/c24-19-10-7-16(13-20(19)25)23(28)27-14-15-5-8-17(9-6-15)29-22-11-12-26-21-4-2-1-3-18(21)22/h1-4,7,10-13,15,17H,5-6,8-9,14H2,(H,27,28)/t15-,17-
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n/an/a 56n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
PC-3 cells (Kaighn et al., Invest. Urol. 17: 16-23, 1979) were plated out at a density of 10000 cells per well of a 96-well cell culture plate in RMP...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245173
PNG
(US9428460, 29)
Show SMILES Fc1cc(ccc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(4.67,8.47,;4.67,6.93,;3.33,6.16,;3.33,4.62,;4.67,3.85,;6,4.62,;6,6.16,;7.34,6.93,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|
Show InChI InChI=1S/C23H19ClFN3O2/c24-19-9-4-14(12-20(19)25)23(29)28-16-5-7-17(8-6-16)30-21-10-11-27-22-15(13-26)2-1-3-18(21)22/h1-4,9-12,16-17H,5-8H2,(H,28,29)/t16-,17-
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n/an/a 61n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245171
PNG
(US9428460, 27)
Show SMILES Fc1ccc(cc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;4.67,8.47,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|
Show InChI InChI=1S/C23H19ClFN3O2/c24-19-12-14(4-9-20(19)25)23(29)28-16-5-7-17(8-6-16)30-21-10-11-27-22-15(13-26)2-1-3-18(21)22/h1-4,9-12,16-17H,5-8H2,(H,28,29)/t16-,17-
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n/an/a 67n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245158
PNG
(US9428460, 14)
Show SMILES Cc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:14.18,wD:11.11,(7.34,6.16,;6,5.39,;6,3.85,;4.67,3.08,;3.33,3.85,;3.33,5.39,;4.67,6.16,;4.67,7.7,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-4.67,-5.39,;-6,-6.16,;-6,-7.7,;-7.34,-5.39,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,)|
Show InChI InChI=1S/C23H22BrFN2O2/c1-14-5-6-15(13-20(14)25)23(28)27-16-7-9-17(10-8-16)29-21-11-12-26-22-18(21)3-2-4-19(22)24/h2-6,11-13,16-17H,7-10H2,1H3,(H,27,28)/t16-,17-
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n/an/a 68n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor [W742C]


(Homo sapiens (Human))		BDBM245153
PNG
(US9428460, 9)
Show SMILES Fc1ccc(cc1F)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:15.19,wD:12.12,(8.67,,;7.34,.77,;6,,;4.67,.77,;4.67,2.31,;6,3.08,;7.34,2.31,;8.67,3.08,;3.33,3.08,;3.33,4.62,;2,2.31,;.67,3.08,;-.67,2.31,;-2,3.08,;-3.33,2.31,;-3.33,.77,;-2,,;-.67,.77,;-4.67,,;-4.67,-1.54,;-3.33,-2.31,;-3.33,-3.85,;-4.67,-4.62,;-6,-3.85,;-7.34,-4.62,;-8.67,-3.85,;-8.67,-2.31,;-7.34,-1.54,;-6,-2.31,)|
Show InChI InChI=1S/C23H22F2N2O2/c24-19-10-7-16(13-20(19)25)23(28)27-14-15-5-8-17(9-6-15)29-22-11-12-26-21-4-2-1-3-18(21)22/h1-4,7,10-13,15,17H,5-6,8-9,14H2,(H,27,28)/t15-,17-
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n/an/a 72n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
PC-3 cells (Kaighn et al., Invest. Urol. 17: 16-23, 1979) were plated out at a density of 10000 cells per well of a 96-well cell culture plate in RMP...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor [W742C]


(Homo sapiens (Human))		BDBM245168
PNG
(US9428460, 24)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;4.67,8.47,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|
Show InChI InChI=1S/C23H19F2N3O2/c24-19-9-4-14(12-20(19)25)23(29)28-16-5-7-17(8-6-16)30-21-10-11-27-22-15(13-26)2-1-3-18(21)22/h1-4,9-12,16-17H,5-8H2,(H,28,29)/t16-,17-
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n/an/a 72n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
PC-3 cells (Kaighn et al., Invest. Urol. 17: 16-23, 1979) were plated out at a density of 10000 cells per well of a 96-well cell culture plate in RMP...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245168
PNG
(US9428460, 24)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;4.67,8.47,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|
Show InChI InChI=1S/C23H19F2N3O2/c24-19-9-4-14(12-20(19)25)23(29)28-16-5-7-17(8-6-16)30-21-10-11-27-22-15(13-26)2-1-3-18(21)22/h1-4,9-12,16-17H,5-8H2,(H,28,29)/t16-,17-
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n/an/a 92n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245156
PNG
(US9428460, 12)
Show SMILES Fc1cccc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:13.17,wD:10.10,(5.33,7.7,;5.33,6.16,;6.67,5.39,;6.67,3.85,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.33,-3.85,;-1.33,-5.39,;-2.67,-6.16,;-4,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-5.39,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,)|
Show InChI InChI=1S/C22H20BrFN2O2/c23-19-6-2-5-18-20(11-12-25-21(18)19)28-17-9-7-16(8-10-17)26-22(27)14-3-1-4-15(24)13-14/h1-6,11-13,16-17H,7-10H2,(H,26,27)/t16-,17-
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n/an/a 93n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245153
PNG
(US9428460, 9)
Show SMILES Fc1ccc(cc1F)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:15.19,wD:12.12,(8.67,,;7.34,.77,;6,,;4.67,.77,;4.67,2.31,;6,3.08,;7.34,2.31,;8.67,3.08,;3.33,3.08,;3.33,4.62,;2,2.31,;.67,3.08,;-.67,2.31,;-2,3.08,;-3.33,2.31,;-3.33,.77,;-2,,;-.67,.77,;-4.67,,;-4.67,-1.54,;-3.33,-2.31,;-3.33,-3.85,;-4.67,-4.62,;-6,-3.85,;-7.34,-4.62,;-8.67,-3.85,;-8.67,-2.31,;-7.34,-1.54,;-6,-2.31,)|
Show InChI InChI=1S/C23H22F2N2O2/c24-19-10-7-16(13-20(19)25)23(28)27-14-15-5-8-17(9-6-15)29-22-11-12-26-21-4-2-1-3-18(21)22/h1-4,7,10-13,15,17H,5-6,8-9,14H2,(H,27,28)/t15-,17-
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n/an/a 105n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245169
PNG
(US9428460, 25)
Show SMILES Fc1ccc(cc1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:13.17,wD:10.10,(7.34,7.7,;6,6.93,;6,5.39,;4.67,4.62,;3.33,5.39,;3.33,6.93,;4.67,7.7,;2,4.62,;.67,5.39,;2,3.08,;.67,2.31,;-.67,3.08,;-2,2.31,;-2,.77,;-.67,,;.67,.77,;-3.33,,;-3.33,-1.54,;-2,-2.31,;-2,-3.85,;-3.33,-4.62,;-4.67,-3.85,;-6,-4.62,;-7.34,-3.85,;-7.34,-2.31,;-6,-1.54,;-4.67,-2.31,;-6,-6.16,;-6,-7.7,)|
Show InChI InChI=1S/C23H20FN3O2/c24-17-6-4-15(5-7-17)23(28)27-18-8-10-19(11-9-18)29-21-12-13-26-22-16(14-25)2-1-3-20(21)22/h1-7,12-13,18-19H,8-11H2,(H,27,28)/t18-,19-
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n/an/a 140n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245157
PNG
(US9428460, 13)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:14.18,wD:11.11,(7.34,6.16,;6,5.39,;6,3.85,;4.67,3.08,;3.33,3.85,;3.33,5.39,;4.67,6.16,;4.67,7.7,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-4.67,-5.39,;-6,-6.16,;-6,-7.7,;-7.34,-5.39,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,)|
Show InChI InChI=1S/C22H19BrF2N2O2/c23-17-3-1-2-16-20(10-11-26-21(16)17)29-15-7-5-14(6-8-15)27-22(28)13-4-9-18(24)19(25)12-13/h1-4,9-12,14-15H,5-8H2,(H,27,28)/t14-,15-
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n/an/a 170n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor [E709Y]


(Homo sapiens (Human))		BDBM245154
PNG
(US9428460, 10)
Show SMILES Fc1cccc(c1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:14.18,wD:11.11,(8.67,3.08,;7.34,2.31,;7.34,.77,;6,,;4.67,.77,;4.67,2.31,;6,3.08,;3.33,3.08,;3.33,4.62,;2,2.31,;.67,3.08,;-.67,2.31,;-2,3.08,;-3.33,2.31,;-3.33,.77,;-2,,;-.67,.77,;-4.67,,;-4.67,-1.54,;-3.33,-2.31,;-3.33,-3.85,;-4.67,-4.62,;-6,-3.85,;-7.34,-4.62,;-8.67,-3.85,;-8.67,-2.31,;-7.34,-1.54,;-6,-2.31,)|
Show InChI InChI=1S/C23H23FN2O2/c24-18-5-3-4-17(14-18)23(27)26-15-16-8-10-19(11-9-16)28-22-12-13-25-21-7-2-1-6-20(21)22/h1-7,12-14,16,19H,8-11,15H2,(H,26,27)/t16-,19-
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n/an/a 175n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
PC-3 cells (Kaighn et al., Invest. Urol. 17: 16-23, 1979) were plated out at a density of 10000 cells per well of a 96-well cell culture plate in RMP...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245162
PNG
(US9428460, 18)
Show SMILES Fc1ccc(cc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;4.67,6.93,;3.33,6.16,;3.33,4.62,;4.67,3.85,;6,4.62,;7.34,3.85,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-6,-6.93,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,)|
Show InChI InChI=1S/C22H19BrClFN2O2/c23-17-3-1-2-16-20(10-11-26-21(16)17)29-15-7-5-14(6-8-15)27-22(28)13-4-9-19(25)18(24)12-13/h1-4,9-12,14-15H,5-8H2,(H,27,28)/t14-,15-
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n/an/a 190n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245154
PNG
(US9428460, 10)
Show SMILES Fc1cccc(c1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:14.18,wD:11.11,(8.67,3.08,;7.34,2.31,;7.34,.77,;6,,;4.67,.77,;4.67,2.31,;6,3.08,;3.33,3.08,;3.33,4.62,;2,2.31,;.67,3.08,;-.67,2.31,;-2,3.08,;-3.33,2.31,;-3.33,.77,;-2,,;-.67,.77,;-4.67,,;-4.67,-1.54,;-3.33,-2.31,;-3.33,-3.85,;-4.67,-4.62,;-6,-3.85,;-7.34,-4.62,;-8.67,-3.85,;-8.67,-2.31,;-7.34,-1.54,;-6,-2.31,)|
Show InChI InChI=1S/C23H23FN2O2/c24-18-5-3-4-17(14-18)23(27)26-15-16-8-10-19(11-9-16)28-22-12-13-25-21-7-2-1-6-20(21)22/h1-7,12-14,16,19H,8-11,15H2,(H,26,27)/t16-,19-
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n/an/a 194n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245155
PNG
(US9428460, 11)
Show SMILES Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:13.17,wD:10.10,(8.62,1.54,;7.08,1.54,;6.18,2.79,;4.71,2.31,;4.71,.77,;6.18,.29,;3.38,3.08,;3.38,4.62,;2.05,2.31,;.71,3.08,;-.62,2.31,;-1.95,3.08,;-3.29,2.31,;-3.29,.77,;-1.95,,;-.62,.77,;-4.62,,;-4.62,-1.54,;-3.29,-2.31,;-3.29,-3.85,;-4.62,-4.62,;-5.96,-3.85,;-7.29,-4.62,;-8.62,-3.85,;-8.62,-2.31,;-7.29,-1.54,;-5.96,-2.31,)|
Show InChI InChI=1S/C21H23N3O3/c1-14-12-19(24-27-14)21(25)23-13-15-6-8-16(9-7-15)26-20-10-11-22-18-5-3-2-4-17(18)20/h2-5,10-12,15-16H,6-9,13H2,1H3,(H,23,25)/t15-,16-
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n/an/a 210n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245148
PNG
(US9428460, 4)
Show SMILES Cc1nocc1C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(F)cccc12 |r,wU:13.17,wD:10.10,(7.72,4.89,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;.15,3.08,;-1.18,3.85,;-2.52,3.08,;-2.52,1.54,;-1.18,.77,;.15,1.54,;-3.85,.77,;-3.85,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-6.52,-5.39,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,)|
Show InChI InChI=1S/C21H22FN3O3/c1-13-17(12-27-25-13)21(26)24-11-14-5-7-15(8-6-14)28-19-9-10-23-20-16(19)3-2-4-18(20)22/h2-4,9-10,12,14-15H,5-8,11H2,1H3,(H,24,26)/t14-,15-
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n/an/a 210n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor [W742C]


(Homo sapiens (Human))		BDBM245154
PNG
(US9428460, 10)
Show SMILES Fc1cccc(c1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:14.18,wD:11.11,(8.67,3.08,;7.34,2.31,;7.34,.77,;6,,;4.67,.77,;4.67,2.31,;6,3.08,;3.33,3.08,;3.33,4.62,;2,2.31,;.67,3.08,;-.67,2.31,;-2,3.08,;-3.33,2.31,;-3.33,.77,;-2,,;-.67,.77,;-4.67,,;-4.67,-1.54,;-3.33,-2.31,;-3.33,-3.85,;-4.67,-4.62,;-6,-3.85,;-7.34,-4.62,;-8.67,-3.85,;-8.67,-2.31,;-7.34,-1.54,;-6,-2.31,)|
Show InChI InChI=1S/C23H23FN2O2/c24-18-5-3-4-17(14-18)23(27)26-15-16-8-10-19(11-9-16)28-22-12-13-25-21-7-2-1-6-20(21)22/h1-7,12-14,16,19H,8-11,15H2,(H,26,27)/t16-,19-
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n/an/a 220n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
PC-3 cells (Kaighn et al., Invest. Urol. 17: 16-23, 1979) were plated out at a density of 10000 cells per well of a 96-well cell culture plate in RMP...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245145
PNG
(US9428460, 1)
Show SMILES Fc1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(F)cccc12 |r,wU:14.18,wD:11.11,(8.67,.77,;7.34,1.54,;6,.77,;4.67,1.54,;4.67,3.08,;6,3.85,;7.34,3.08,;3.33,3.85,;3.33,5.39,;2,3.08,;.67,3.85,;-.67,3.08,;-2,3.85,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,-1.54,;-3.33,-3.08,;-4.67,-3.85,;-6,-3.08,;-7.34,-3.85,;-7.34,-5.39,;-8.67,-3.08,;-8.67,-1.54,;-7.34,-.77,;-6,-1.54,)|
Show InChI InChI=1S/C23H22F2N2O2/c24-17-8-6-16(7-9-17)23(28)27-14-15-4-10-18(11-5-15)29-21-12-13-26-22-19(21)2-1-3-20(22)25/h1-3,6-9,12-13,15,18H,4-5,10-11,14H2,(H,27,28)/t15-,18-
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n/an/a 240n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245159
PNG
(US9428460, 15)
Show SMILES Brc1cccc2c(O[C@H]3CC[C@@H](CC3)NC(=O)c3ccc(cc3)C#N)ccnc12 |r,wU:8.7,wD:11.14,(-6.67,-7.31,;-6.67,-5.78,;-8,-5,;-8,-3.47,;-6.67,-2.69,;-5.33,-3.47,;-4,-2.69,;-4,-1.15,;-2.67,-.38,;-2.67,1.15,;-1.33,1.93,;,1.15,;,-.38,;-1.33,-1.15,;1.33,1.93,;1.33,3.47,;,4.23,;2.67,4.23,;4,3.47,;5.33,4.23,;5.38,5.8,;4,6.54,;2.67,5.78,;6.72,6.57,;8.05,7.34,;-2.67,-3.47,;-2.67,-5,;-4,-5.78,;-5.33,-5,)|
Show InChI InChI=1S/C23H20BrN3O2/c24-20-3-1-2-19-21(12-13-26-22(19)20)29-18-10-8-17(9-11-18)27-23(28)16-6-4-15(14-25)5-7-16/h1-7,12-13,17-18H,8-11H2,(H,27,28)/t17-,18-
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n/an/a 261n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245166
PNG
(US9428460, 22)
Show SMILES O=C(NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12)c1ccc(cc1)C#N |r,wU:7.10,wD:4.3,(2.67,4.62,;2.67,3.08,;1.33,2.31,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-5.33,-4.62,;-6.67,-3.85,;-8,-4.62,;-9.34,-3.85,;-9.34,-2.31,;-8,-1.54,;-6.67,-2.31,;4,2.31,;4,.77,;5.33,,;6.72,.74,;6.67,2.31,;5.33,3.08,;8.05,-.03,;9.38,-.8,)|
Show InChI InChI=1S/C24H23N3O2/c25-15-17-5-9-19(10-6-17)24(28)27-16-18-7-11-20(12-8-18)29-23-13-14-26-22-4-2-1-3-21(22)23/h1-6,9-10,13-14,18,20H,7-8,11-12,16H2,(H,27,28)/t18-,20-
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n/an/a 330n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245152
PNG
(US9428460, 8)
Show SMILES Fc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4cc[nH]n4)CC3)ccnc12 |r,wU:8.7,wD:11.11,(-6.52,-5.39,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-3.85,-.77,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;.15,1.54,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,)|
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n/an/a 420n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245149
PNG
(US9428460, 5)
Show SMILES Fc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4ccno4)CC3)ccnc12 |r,wU:8.7,wD:11.11,(-6.52,-5.39,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-3.85,-.77,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;.15,1.54,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,)|
Show InChI InChI=1S/C20H20FN3O3/c21-16-3-1-2-15-17(8-10-22-19(15)16)26-14-6-4-13(5-7-14)12-23-20(25)18-9-11-24-27-18/h1-3,8-11,13-14H,4-7,12H2,(H,23,25)/t13-,14-
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n/an/a 460n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245160
PNG
(US9428460, 16)
Show SMILES Fc1cc(ccc1C(F)(F)F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:17.21,wD:14.14,(4,7.7,;4,6.16,;2.67,5.39,;2.67,3.85,;4,3.08,;5.33,3.85,;5.38,5.42,;6.72,6.19,;8.05,6.96,;7.49,4.85,;5.95,7.52,;1.33,3.08,;,3.85,;1.33,1.54,;,.77,;-1.33,1.54,;-2.67,.77,;-2.67,-.77,;-1.33,-1.54,;,-.77,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.7,;-8,-5.39,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,)|
Show InChI InChI=1S/C23H19BrF4N2O2/c24-18-3-1-2-16-20(10-11-29-21(16)18)32-15-7-5-14(6-8-15)30-22(31)13-4-9-17(19(25)12-13)23(26,27)28/h1-4,9-12,14-15H,5-8H2,(H,30,31)/t14-,15-
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n/an/a 463n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245161
PNG
(US9428460, 17)
Show SMILES Fc1ccc(cc1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:13.17,wD:10.10,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-6,-6.93,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,)|
Show InChI InChI=1S/C22H20BrFN2O2/c23-19-3-1-2-18-20(12-13-25-21(18)19)28-17-10-8-16(9-11-17)26-22(27)14-4-6-15(24)7-5-14/h1-7,12-13,16-17H,8-11H2,(H,26,27)/t16-,17-
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n/an/a 477n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245151
PNG
(US9428460, 7)
Show SMILES Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(F)cccc12 |r,wU:13.17,wD:10.10,(8.62,2.31,;7.08,2.31,;6.18,3.56,;4.71,3.08,;4.71,1.54,;6.18,1.06,;3.38,3.85,;3.38,5.39,;2.05,3.08,;.71,3.85,;-.62,3.08,;-1.95,3.85,;-3.29,3.08,;-3.29,1.54,;-1.95,.77,;-.62,1.54,;-4.62,.77,;-4.62,-.77,;-3.29,-1.54,;-3.29,-3.08,;-4.62,-3.85,;-5.96,-3.08,;-7.29,-3.85,;-7.29,-5.39,;-8.62,-3.08,;-8.62,-1.54,;-7.29,-.77,;-5.96,-1.54,)|
Show InChI InChI=1S/C21H22FN3O3/c1-13-11-18(25-28-13)21(26)24-12-14-5-7-15(8-6-14)27-19-9-10-23-20-16(19)3-2-4-17(20)22/h2-4,9-11,14-15H,5-8,12H2,1H3,(H,24,26)/t14-,15-
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n/an/a 480n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245165
PNG
(US9428460, 21)
Show SMILES Brc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4ccon4)CC3)ccnc12 |r,wU:8.7,wD:11.11,(-6.52,-5.39,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-3.85,-.77,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;.15,1.54,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,)|
Show InChI InChI=1S/C20H20BrN3O3/c21-16-3-1-2-15-18(8-10-22-19(15)16)27-14-6-4-13(5-7-14)12-23-20(25)17-9-11-26-24-17/h1-3,8-11,13-14H,4-7,12H2,(H,23,25)/t13-,14-
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n/an/a 630n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245176
PNG
(US9428460, 32)
Show SMILES Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:13.17,wD:10.10,(8.62,3.08,;7.08,3.08,;6.18,4.33,;4.71,3.85,;4.71,2.31,;6.18,1.83,;3.38,4.62,;3.38,6.16,;2.05,3.85,;.71,4.62,;-.62,3.85,;-1.95,4.62,;-3.29,3.85,;-3.29,2.31,;-1.95,1.54,;-.62,2.31,;-4.62,1.54,;-4.62,,;-3.29,-.77,;-3.29,-2.31,;-4.62,-3.08,;-5.96,-2.31,;-7.29,-3.08,;-8.62,-2.31,;-8.62,-.77,;-7.29,,;-5.96,-.77,;-7.29,-4.62,;-7.29,-6.16,)|
Show InChI InChI=1S/C22H22N4O3/c1-14-11-19(26-29-14)22(27)25-13-15-5-7-17(8-6-15)28-20-9-10-24-21-16(12-23)3-2-4-18(20)21/h2-4,9-11,15,17H,5-8,13H2,1H3,(H,25,27)/t15-,17-
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n/an/a 650n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245164
PNG
(US9428460, 20)
Show SMILES Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:13.17,wD:10.10,(8.62,2.31,;7.08,2.31,;6.18,3.56,;4.71,3.08,;4.71,1.54,;6.18,1.06,;3.38,3.85,;3.38,5.39,;2.05,3.08,;.71,3.85,;-.62,3.08,;-1.95,3.85,;-3.29,3.08,;-3.29,1.54,;-1.95,.77,;-.62,1.54,;-4.62,.77,;-4.62,-.77,;-3.29,-1.54,;-3.29,-3.08,;-4.62,-3.85,;-5.96,-3.08,;-7.29,-3.85,;-7.29,-5.39,;-8.62,-3.08,;-8.62,-1.54,;-7.29,-.77,;-5.96,-1.54,)|
Show InChI InChI=1S/C21H22BrN3O3/c1-13-11-18(25-28-13)21(26)24-12-14-5-7-15(8-6-14)27-19-9-10-23-20-16(19)3-2-4-17(20)22/h2-4,9-11,14-15H,5-8,12H2,1H3,(H,24,26)/t14-,15-
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n/an/a 690n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245175
PNG
(US9428460, 31)
Show SMILES O=C(NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N)c1ccon1 |r,wU:7.10,wD:4.3,(4.15,6.16,;4.15,4.62,;2.82,3.85,;1.48,4.62,;.15,3.85,;-1.18,4.62,;-2.52,3.85,;-2.52,2.31,;-1.18,1.54,;.15,2.31,;-3.85,1.54,;-3.85,,;-2.52,-.77,;-2.52,-2.31,;-3.85,-3.08,;-5.19,-2.31,;-6.52,-3.08,;-7.85,-2.31,;-7.85,-.77,;-6.52,,;-5.19,-.77,;-6.52,-4.62,;-6.52,-6.16,;5.48,3.85,;6.95,4.33,;7.85,3.08,;6.95,1.83,;5.48,2.31,)|
Show InChI InChI=1S/C21H20N4O3/c22-12-15-2-1-3-17-19(8-10-23-20(15)17)28-16-6-4-14(5-7-16)13-24-21(26)18-9-11-27-25-18/h1-3,8-11,14,16H,4-7,13H2,(H,24,26)/t14-,16-
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n/an/a 720n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM245150
PNG
(US9428460, 6)
Show SMILES Fc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4ccon4)CC3)ccnc12 |r,wU:8.7,wD:11.11,(-6.52,-5.39,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-3.85,-.77,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;.15,1.54,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,)|
Show InChI InChI=1S/C20H20FN3O3/c21-16-3-1-2-15-18(8-10-22-19(15)16)27-14-6-4-13(5-7-14)12-23-20(25)17-9-11-26-24-17/h1-3,8-11,13-14H,4-7,12H2,(H,23,25)/t13-,14-
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n/an/a 740n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...

US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%