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Patent code US8802672

Compile Data Set for Download or QSAR
Found 27 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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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 0.880n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Alpha-1 receptor binding studies were performed according to the methods described by Greengrass and Bremner (Eur. J. Pharmacol., 55:323-326, 1979) o...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM129716
PNG
(US8802672, 1)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,-3.08,;-8,-12.32,;-8,-13.86,)|
Show InChI InChI=1S/C19H30Cl2N6O/c1-13(28)23-15-5-3-14(4-6-15)7-8-26-9-11-27(12-10-26)18-16(20)17(21)24-19(22-2)25-18/h14-15H,3-12H2,1-2H3,(H,23,28)(H,22,24,25)
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<1n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM129720
PNG
(US8802672, 10)
Show SMILES CCNC(=O)NC1CCC(CCN2CCN(CC2)c2nc(NC)nc(Cl)c2Cl)CC1 |(-6.67,-10.01,;-8,-9.24,;-9.34,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-10.01,;-13.34,-9.24,;-14.67,-10.01,;-16,-9.24,;-16,-7.7,;-17.34,-6.93,;-18.67,-7.7,;-20.01,-6.93,;-21.34,-7.7,;-22.67,-6.93,;-22.67,-5.39,;-21.34,-4.62,;-20.01,-5.39,;-24.01,-4.62,;-25.34,-5.39,;-26.67,-4.62,;-28.01,-5.39,;-28.01,-6.93,;-26.67,-3.08,;-25.34,-2.31,;-25.34,-.77,;-24.01,-3.08,;-22.67,-2.31,;-14.67,-6.93,;-13.34,-7.7,)|
Show InChI InChI=1S/C20H33Cl2N7O/c1-3-24-20(30)25-15-6-4-14(5-7-15)8-9-28-10-12-29(13-11-28)18-16(21)17(22)26-19(23-2)27-18/h14-15H,3-13H2,1-2H3,(H,23,26,27)(H2,24,25,30)
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<1n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM129721
PNG
(US8802672, 11)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CCC(N)=O)CC2)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-8,,;-10.67,,;-9.34,-5.39,;-9.34,-6.93,;-8,-12.32,;-8,-13.86,)|
Show InChI InChI=1S/C20H32Cl2N6O/c1-24-20-25-18(22)17(21)19(26-20)28-12-10-27(11-13-28)9-8-15-4-2-14(3-5-15)6-7-16(23)29/h14-15H,2-13H2,1H3,(H2,23,29)(H,24,25,26)
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<1n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM129717
PNG
(US8802672, 2)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(N)=O)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-10.67,-3.08,;-9.34,-.77,;-8,-12.32,;-8,-13.86,)|
Show InChI InChI=1S/C18H29Cl2N7O/c1-22-18-24-15(20)14(19)16(25-18)27-10-8-26(9-11-27)7-6-12-2-4-13(5-3-12)23-17(21)28/h12-13H,2-11H2,1H3,(H3,21,23,28)(H,22,24,25)
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 2n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM129719
PNG
(US8802672, 7)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(=O)N2CCOCC2)CC1 |(-4.53,8.84,;-3.2,9.61,;-1.86,8.84,;-.53,9.61,;.81,8.84,;2.14,9.61,;.81,7.3,;2.14,6.53,;-.53,6.53,;-1.86,7.3,;-.53,4.99,;-1.86,4.22,;-1.86,2.68,;-.53,1.91,;-.53,.37,;.81,-.4,;.81,-1.94,;-.53,-2.71,;-.53,-4.25,;.81,-5.02,;2.14,-4.25,;2.14,-2.71,;.81,-6.56,;2.14,-7.33,;3.47,-6.56,;2.14,-8.87,;3.47,-9.64,;3.47,-11.18,;2.14,-11.95,;.81,-11.18,;.81,-9.64,;.81,2.68,;.81,4.22,)|
Show InChI InChI=1S/C22H35Cl2N7O2/c1-25-21-27-19(24)18(23)20(28-21)30-10-8-29(9-11-30)7-6-16-2-4-17(5-3-16)26-22(32)31-12-14-33-15-13-31/h16-17H,2-15H2,1H3,(H,26,32)(H,25,27,28)
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 2n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM129718
PNG
(US8802672, 6)
Show SMILES CCNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1 |(-2.67,-21.56,;-4,-20.79,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,-3.08,;-8,-12.32,;-8,-13.86,)|
Show InChI InChI=1S/C20H32Cl2N6O/c1-3-23-20-25-18(22)17(21)19(26-20)28-12-10-27(11-13-28)9-8-15-4-6-16(7-5-15)24-14(2)29/h15-16H,3-13H2,1-2H3,(H,24,29)(H,23,25,26)
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 2n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM6775
PNG
(US8802672, 8)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(=O)N(C)C)CC1 |(-28.01,-6.93,;-28.01,-5.39,;-26.67,-4.62,;-26.67,-3.08,;-25.34,-2.31,;-25.34,-.77,;-24.01,-3.08,;-22.67,-2.31,;-24.01,-4.62,;-25.34,-5.39,;-22.67,-5.39,;-22.67,-6.93,;-21.34,-7.7,;-20.01,-6.93,;-18.67,-7.7,;-17.34,-6.93,;-16,-7.7,;-16,-9.24,;-14.67,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-9.34,-10.01,;-8,-9.24,;-9.34,-11.55,;-20.01,-5.39,;-21.34,-4.62,)|
Show InChI InChI=1S/C20H33Cl2N7O/c1-23-19-25-17(22)16(21)18(26-19)29-12-10-28(11-13-29)9-8-14-4-6-15(7-5-14)24-20(30)27(2)3/h14-15H,4-13H2,1-3H3,(H,24,30)(H,23,25,26)
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Richter Gedeon Nyrt.

US Patent


Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM129721
PNG
(US8802672, 11)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CCC(N)=O)CC2)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-8,,;-10.67,,;-9.34,-5.39,;-9.34,-6.93,;-8,-12.32,;-8,-13.86,)|
Show InChI InChI=1S/C20H32Cl2N6O/c1-24-20-25-18(22)17(21)19(26-20)28-12-10-27(11-13-28)9-8-15-4-2-14(3-5-15)6-7-16(23)29/h14-15H,2-13H2,1H3,(H2,23,29)(H,24,25,26)
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 10n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
D2 receptor binding was determined as described by Creese et al. (Eur. J. Pharmacol., 60:55-66, 1979) on rat brain striatal membrane preparation usin...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM129720
PNG
(US8802672, 10)
Show SMILES CCNC(=O)NC1CCC(CCN2CCN(CC2)c2nc(NC)nc(Cl)c2Cl)CC1 |(-6.67,-10.01,;-8,-9.24,;-9.34,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-10.01,;-13.34,-9.24,;-14.67,-10.01,;-16,-9.24,;-16,-7.7,;-17.34,-6.93,;-18.67,-7.7,;-20.01,-6.93,;-21.34,-7.7,;-22.67,-6.93,;-22.67,-5.39,;-21.34,-4.62,;-20.01,-5.39,;-24.01,-4.62,;-25.34,-5.39,;-26.67,-4.62,;-28.01,-5.39,;-28.01,-6.93,;-26.67,-3.08,;-25.34,-2.31,;-25.34,-.77,;-24.01,-3.08,;-22.67,-2.31,;-14.67,-6.93,;-13.34,-7.7,)|
Show InChI InChI=1S/C20H33Cl2N7O/c1-3-24-20(30)25-15-6-4-14(5-7-15)8-9-28-10-12-29(13-11-28)18-16(21)17(22)26-19(23-2)27-18/h14-15H,3-13H2,1-2H3,(H,23,26,27)(H2,24,25,30)
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 10n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
D2 receptor binding was determined as described by Creese et al. (Eur. J. Pharmacol., 60:55-66, 1979) on rat brain striatal membrane preparation usin...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM129719
PNG
(US8802672, 7)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(=O)N2CCOCC2)CC1 |(-4.53,8.84,;-3.2,9.61,;-1.86,8.84,;-.53,9.61,;.81,8.84,;2.14,9.61,;.81,7.3,;2.14,6.53,;-.53,6.53,;-1.86,7.3,;-.53,4.99,;-1.86,4.22,;-1.86,2.68,;-.53,1.91,;-.53,.37,;.81,-.4,;.81,-1.94,;-.53,-2.71,;-.53,-4.25,;.81,-5.02,;2.14,-4.25,;2.14,-2.71,;.81,-6.56,;2.14,-7.33,;3.47,-6.56,;2.14,-8.87,;3.47,-9.64,;3.47,-11.18,;2.14,-11.95,;.81,-11.18,;.81,-9.64,;.81,2.68,;.81,4.22,)|
Show InChI InChI=1S/C22H35Cl2N7O2/c1-25-21-27-19(24)18(23)20(28-21)30-10-8-29(9-11-30)7-6-16-2-4-17(5-3-16)26-22(32)31-12-14-33-15-13-31/h16-17H,2-15H2,1H3,(H,26,32)(H,25,27,28)
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 10n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
D2 receptor binding was determined as described by Creese et al. (Eur. J. Pharmacol., 60:55-66, 1979) on rat brain striatal membrane preparation usin...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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 13n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
D2 receptor binding was determined as described by Creese et al. (Eur. J. Pharmacol., 60:55-66, 1979) on rat brain striatal membrane preparation usin...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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 13n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))		BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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 25.1n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Alpha-1 receptor binding studies were performed according to the methods described by Greengrass and Bremner (Eur. J. Pharmacol., 55:323-326, 1979) o...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM6775
PNG
(US8802672, 8)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(=O)N(C)C)CC1 |(-28.01,-6.93,;-28.01,-5.39,;-26.67,-4.62,;-26.67,-3.08,;-25.34,-2.31,;-25.34,-.77,;-24.01,-3.08,;-22.67,-2.31,;-24.01,-4.62,;-25.34,-5.39,;-22.67,-5.39,;-22.67,-6.93,;-21.34,-7.7,;-20.01,-6.93,;-18.67,-7.7,;-17.34,-6.93,;-16,-7.7,;-16,-9.24,;-14.67,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-9.34,-10.01,;-8,-9.24,;-9.34,-11.55,;-20.01,-5.39,;-21.34,-4.62,)|
Show InChI InChI=1S/C20H33Cl2N7O/c1-23-19-25-17(22)16(21)18(26-19)29-12-10-28(11-13-29)9-8-14-4-6-15(7-5-14)24-20(30)27(2)3/h14-15H,4-13H2,1-3H3,(H,24,30)(H,23,25,26)
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 35n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
D2 receptor binding was determined as described by Creese et al. (Eur. J. Pharmacol., 60:55-66, 1979) on rat brain striatal membrane preparation usin...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM129716
PNG
(US8802672, 1)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,-3.08,;-8,-12.32,;-8,-13.86,)|
Show InChI InChI=1S/C19H30Cl2N6O/c1-13(28)23-15-5-3-14(4-6-15)7-8-26-9-11-27(12-10-26)18-16(20)17(21)24-19(22-2)25-18/h14-15H,3-12H2,1-2H3,(H,23,28)(H,22,24,25)
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 35n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
D2 receptor binding was determined as described by Creese et al. (Eur. J. Pharmacol., 60:55-66, 1979) on rat brain striatal membrane preparation usin...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM129718
PNG
(US8802672, 6)
Show SMILES CCNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1 |(-2.67,-21.56,;-4,-20.79,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,-3.08,;-8,-12.32,;-8,-13.86,)|
Show InChI InChI=1S/C20H32Cl2N6O/c1-3-23-20-25-18(22)17(21)19(26-20)28-12-10-27(11-13-28)9-8-15-4-6-16(7-5-15)24-14(2)29/h15-16H,3-13H2,1-2H3,(H,24,29)(H,23,25,26)
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 35n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
D2 receptor binding was determined as described by Creese et al. (Eur. J. Pharmacol., 60:55-66, 1979) on rat brain striatal membrane preparation usin...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM129717
PNG
(US8802672, 2)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(N)=O)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-10.67,-3.08,;-9.34,-.77,;-8,-12.32,;-8,-13.86,)|
Show InChI InChI=1S/C18H29Cl2N7O/c1-22-18-24-15(20)14(19)16(25-18)27-10-8-26(9-11-27)7-6-12-2-4-13(5-3-12)23-17(21)28/h12-13H,2-11H2,1H3,(H3,21,23,28)(H,22,24,25)
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 35n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
D2 receptor binding was determined as described by Creese et al. (Eur. J. Pharmacol., 60:55-66, 1979) on rat brain striatal membrane preparation usin...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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 76n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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 96n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
D2 receptor binding was determined as described by Creese et al. (Eur. J. Pharmacol., 60:55-66, 1979) on rat brain striatal membrane preparation usin...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))		BDBM129720
PNG
(US8802672, 10)
Show SMILES CCNC(=O)NC1CCC(CCN2CCN(CC2)c2nc(NC)nc(Cl)c2Cl)CC1 |(-6.67,-10.01,;-8,-9.24,;-9.34,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-10.01,;-13.34,-9.24,;-14.67,-10.01,;-16,-9.24,;-16,-7.7,;-17.34,-6.93,;-18.67,-7.7,;-20.01,-6.93,;-21.34,-7.7,;-22.67,-6.93,;-22.67,-5.39,;-21.34,-4.62,;-20.01,-5.39,;-24.01,-4.62,;-25.34,-5.39,;-26.67,-4.62,;-28.01,-5.39,;-28.01,-6.93,;-26.67,-3.08,;-25.34,-2.31,;-25.34,-.77,;-24.01,-3.08,;-22.67,-2.31,;-14.67,-6.93,;-13.34,-7.7,)|
Show InChI InChI=1S/C20H33Cl2N7O/c1-3-24-20(30)25-15-6-4-14(5-7-15)8-9-28-10-12-29(13-11-28)18-16(21)17(22)26-19(23-2)27-18/h14-15H,3-13H2,1-2H3,(H,23,26,27)(H2,24,25,30)
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>1.00E+3n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Alpha-1 receptor binding studies were performed according to the methods described by Greengrass and Bremner (Eur. J. Pharmacol., 55:323-326, 1979) o...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))		BDBM129717
PNG
(US8802672, 2)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(N)=O)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-10.67,-3.08,;-9.34,-.77,;-8,-12.32,;-8,-13.86,)|
Show InChI InChI=1S/C18H29Cl2N7O/c1-22-18-24-15(20)14(19)16(25-18)27-10-8-26(9-11-27)7-6-12-2-4-13(5-3-12)23-17(21)28/h12-13H,2-11H2,1H3,(H3,21,23,28)(H,22,24,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Alpha-1 receptor binding studies were performed according to the methods described by Greengrass and Bremner (Eur. J. Pharmacol., 55:323-326, 1979) o...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))		BDBM129718
PNG
(US8802672, 6)
Show SMILES CCNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1 |(-2.67,-21.56,;-4,-20.79,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,-3.08,;-8,-12.32,;-8,-13.86,)|
Show InChI InChI=1S/C20H32Cl2N6O/c1-3-23-20-25-18(22)17(21)19(26-20)28-12-10-27(11-13-28)9-8-15-4-6-16(7-5-15)24-14(2)29/h15-16H,3-13H2,1-2H3,(H,24,29)(H,23,25,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Alpha-1 receptor binding studies were performed according to the methods described by Greengrass and Bremner (Eur. J. Pharmacol., 55:323-326, 1979) o...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))		BDBM129716
PNG
(US8802672, 1)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,-3.08,;-8,-12.32,;-8,-13.86,)|
Show InChI InChI=1S/C19H30Cl2N6O/c1-13(28)23-15-5-3-14(4-6-15)7-8-26-9-11-27(12-10-26)18-16(20)17(21)24-19(22-2)25-18/h14-15H,3-12H2,1-2H3,(H,23,28)(H,22,24,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Alpha-1 receptor binding studies were performed according to the methods described by Greengrass and Bremner (Eur. J. Pharmacol., 55:323-326, 1979) o...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))		BDBM129719
PNG
(US8802672, 7)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(=O)N2CCOCC2)CC1 |(-4.53,8.84,;-3.2,9.61,;-1.86,8.84,;-.53,9.61,;.81,8.84,;2.14,9.61,;.81,7.3,;2.14,6.53,;-.53,6.53,;-1.86,7.3,;-.53,4.99,;-1.86,4.22,;-1.86,2.68,;-.53,1.91,;-.53,.37,;.81,-.4,;.81,-1.94,;-.53,-2.71,;-.53,-4.25,;.81,-5.02,;2.14,-4.25,;2.14,-2.71,;.81,-6.56,;2.14,-7.33,;3.47,-6.56,;2.14,-8.87,;3.47,-9.64,;3.47,-11.18,;2.14,-11.95,;.81,-11.18,;.81,-9.64,;.81,2.68,;.81,4.22,)|
Show InChI InChI=1S/C22H35Cl2N7O2/c1-25-21-27-19(24)18(23)20(28-21)30-10-8-29(9-11-30)7-6-16-2-4-17(5-3-16)26-22(32)31-12-14-33-15-13-31/h16-17H,2-15H2,1H3,(H,26,32)(H,25,27,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Alpha-1 receptor binding studies were performed according to the methods described by Greengrass and Bremner (Eur. J. Pharmacol., 55:323-326, 1979) o...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))		BDBM129721
PNG
(US8802672, 11)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CCC(N)=O)CC2)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-8,,;-10.67,,;-9.34,-5.39,;-9.34,-6.93,;-8,-12.32,;-8,-13.86,)|
Show InChI InChI=1S/C20H32Cl2N6O/c1-24-20-25-18(22)17(21)19(26-20)28-12-10-27(11-13-28)9-8-15-4-2-14(3-5-15)6-7-16(23)29/h14-15H,2-13H2,1H3,(H2,23,29)(H,24,25,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Alpha-1 receptor binding studies were performed according to the methods described by Greengrass and Bremner (Eur. J. Pharmacol., 55:323-326, 1979) o...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))		BDBM6775
PNG
(US8802672, 8)
Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(=O)N(C)C)CC1 |(-28.01,-6.93,;-28.01,-5.39,;-26.67,-4.62,;-26.67,-3.08,;-25.34,-2.31,;-25.34,-.77,;-24.01,-3.08,;-22.67,-2.31,;-24.01,-4.62,;-25.34,-5.39,;-22.67,-5.39,;-22.67,-6.93,;-21.34,-7.7,;-20.01,-6.93,;-18.67,-7.7,;-17.34,-6.93,;-16,-7.7,;-16,-9.24,;-14.67,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-9.34,-10.01,;-8,-9.24,;-9.34,-11.55,;-20.01,-5.39,;-21.34,-4.62,)|
Show InChI InChI=1S/C20H33Cl2N7O/c1-23-19-25-17(22)16(21)18(26-19)29-12-10-28(11-13-29)9-8-14-4-6-15(7-5-14)24-20(30)27(2)3/h14-15H,4-13H2,1-3H3,(H,24,30)(H,23,25,26)
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US Patent
>1.00E+3n/an/an/an/an/an/an/an/a



Richter Gedeon Nyrt.

US Patent


Assay Description
Alpha-1 receptor binding studies were performed according to the methods described by Greengrass and Bremner (Eur. J. Pharmacol., 55:323-326, 1979) o...

US Patent US8802672 (2014)


BindingDB Entry DOI: 10.7270/Q2FF3R1T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%