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Patent code US8592454

Compile Data Set for Download or QSAR
Found 32 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
Substance-P receptor


(Homo sapiens (Human))		BDBM47085
PNG
(US8592454, 71b)
Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,@:16|
Show InChI InChI=1S/C29H31F7N4O3/c1-17(41)39-10-8-19(9-11-39)26(42)40-15-24(18-4-6-22(30)7-5-18)25(16-40)38(3)27(43)37(2)23-13-20(28(31,32)33)12-21(14-23)29(34,35)36/h4-7,12-14,19,24-25H,8-11,15-16H2,1-3H3/t24-,25+/m1/s1
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n/an/a 0.0270n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM106978
PNG
(US8592454, 176)
Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C27H31Cl2FN4O3/c1-17(35)33-10-8-19(9-11-33)26(36)34-15-24(18-4-6-22(30)7-5-18)25(16-34)32(3)27(37)31(2)23-13-20(28)12-21(29)14-23/h4-7,12-14,19,24-25H,8-11,15-16H2,1-3H3/t24-,25+/m0/s1
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n/an/a 0.0290n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM106983
PNG
(US8592454, 420)
Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H30F7N5O4S/c1-35(21-13-18(26(29,30)31)12-19(14-21)27(32,33)34)24(40)36(2)23-16-38(15-22(23)17-4-6-20(28)7-5-17)25(41)37-8-10-39(11-9-37)44(3,42)43/h4-7,12-14,22-23H,8-11,15-16H2,1-3H3/t22-,23+/m0/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM106974
PNG
(US8592454, 25)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C30H32Cl2F6N4O3/c1-17(43)41-9-6-18(7-10-41)27(44)42-11-8-26(23(16-42)19-4-5-24(31)25(32)12-19)40(3)28(45)39(2)22-14-20(29(33,34)35)13-21(15-22)30(36,37)38/h4-5,12-15,18,23,26H,6-11,16H2,1-3H3/t23-,26+/m0/s1
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n/an/a 0.0310n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM106979
PNG
(US8592454, 192)
Show SMILES CN([C@@H]1CN(CC1c1ccc(F)cn1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C28H30F7N5O3/c1-16(41)39-8-6-17(7-9-39)25(42)40-14-22(23-5-4-20(29)13-36-23)24(15-40)38(3)26(43)37(2)21-11-18(27(30,31)32)10-19(12-21)28(33,34)35/h4-5,10-13,17,22,24H,6-9,14-15H2,1-3H3/t22?,24-/m1/s1
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n/an/a 0.0320n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM106982
PNG
(US8592454, 378)
Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)NC1CCOCC1)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H29F7N4O3/c1-36(21-12-17(26(29,30)31)11-18(13-21)27(32,33)34)25(40)37(2)23-15-38(24(39)35-20-7-9-41-10-8-20)14-22(23)16-3-5-19(28)6-4-16/h3-6,11-13,20,22-23H,7-10,14-15H2,1-2H3,(H,35,39)/t22-,23+/m0/s1
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n/an/a 0.0390n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM106980
PNG
(US8592454, 233)
Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(F)cc1)N(C)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,wU:5.4,15.27,wD:8.11,16.19,(-8.61,-2.74,;-7.12,-3.14,;-6.03,-2.05,;-6.43,-.57,;-4.54,-2.45,;-3.45,-1.36,;-3.85,.12,;-2.76,1.21,;-1.28,.81,;-.88,-.67,;-1.97,-1.76,;-.19,1.9,;-.59,3.39,;1.3,1.5,;2.55,2.41,;3.79,1.5,;3.32,.04,;1.78,.04,;4.09,-1.29,;3.32,-2.63,;4.09,-3.96,;5.63,-3.96,;6.4,-5.29,;6.4,-2.63,;5.63,-1.29,;5.33,1.5,;6.1,.17,;6.1,2.84,;5.33,4.17,;7.64,2.84,;8.41,1.5,;8.41,4.17,;7.64,5.51,;8.41,6.84,;9.95,6.84,;10.72,5.51,;9.95,4.17,;12.26,5.51,;13.03,6.84,;13.03,4.17,;13.8,5.51,;7.64,8.17,;8.41,9.51,;6.1,8.17,;6.87,9.51,)|
Show InChI InChI=1S/C30H33F7N4O4/c1-39(23-13-19(29(32,33)34)12-20(14-23)30(35,36)37)28(44)40(2)25-16-41(15-24(25)17-4-8-21(31)9-5-17)26(42)18-6-10-22(11-7-18)38-27(43)45-3/h4-5,8-9,12-14,18,22,24-25H,6-7,10-11,15-16H2,1-3H3,(H,38,43)/t18-,22-,24-,25+/m0/s1
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n/an/a 0.0490n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM106981
PNG
(US8592454, 308)
Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(=O)C(C)(C)O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C31H35F7N4O4/c1-29(2,46)27(44)41-11-9-19(10-12-41)26(43)42-16-24(18-5-7-22(32)8-6-18)25(17-42)40(4)28(45)39(3)23-14-20(30(33,34)35)13-21(15-23)31(36,37)38/h5-8,13-15,19,24-25,46H,9-12,16-17H2,1-4H3/t24-,25+/m0/s1
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n/an/a 0.0700n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM106977
PNG
(US8592454, 104)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(F)cc1)C1CCS(=O)(=O)CC1)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H30F7N3O3S/c1-35(22-14-18(26(29,30)31)13-19(15-22)27(32,33)34)25(38)36(2)24-7-10-37(21-8-11-41(39,40)12-9-21)16-23(24)17-3-5-20(28)6-4-17/h3-6,13-15,21,23-24H,7-12,16H2,1-2H3/t23-,24+/m0/s1
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n/an/a 0.0730n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM106976
PNG
(US8592454, 66)
Show SMILES CN([C@@H]1CN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C29H30Cl2F6N4O3/c1-16(42)40-8-6-17(7-9-40)26(43)41-14-22(18-4-5-23(30)24(31)10-18)25(15-41)39(3)27(44)38(2)21-12-19(28(32,33)34)11-20(13-21)29(35,36)37/h4-5,10-13,17,22,25H,6-9,14-15H2,1-3H3/t22?,25-/m1/s1
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n/an/a 0.0750n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM106973
PNG
(US8592454, 4)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C30H33F7N4O3/c1-18(42)40-11-8-20(9-12-40)27(43)41-13-10-26(25(17-41)19-4-6-23(31)7-5-19)39(3)28(44)38(2)24-15-21(29(32,33)34)14-22(16-24)30(35,36)37/h4-7,14-16,20,25-26H,8-13,17H2,1-3H3/t25-,26+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM106976
PNG
(US8592454, 66)
Show SMILES CN([C@@H]1CN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C29H30Cl2F6N4O3/c1-16(42)40-8-6-17(7-9-40)26(43)41-14-22(18-4-5-23(30)24(31)10-18)25(15-41)39(3)27(44)38(2)21-12-19(28(32,33)34)11-20(13-21)29(35,36)37/h4-5,10-13,17,22,25H,6-9,14-15H2,1-3H3/t22?,25-/m1/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM106981
PNG
(US8592454, 308)
Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(=O)C(C)(C)O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C31H35F7N4O4/c1-29(2,46)27(44)41-11-9-19(10-12-41)26(43)42-16-24(18-5-7-22(32)8-6-18)25(17-42)40(4)28(45)39(3)23-14-20(30(33,34)35)13-21(15-23)31(36,37)38/h5-8,13-15,19,24-25,46H,9-12,16-17H2,1-4H3/t24-,25+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM106974
PNG
(US8592454, 25)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C30H32Cl2F6N4O3/c1-17(43)41-9-6-18(7-10-41)27(44)42-11-8-26(23(16-42)19-4-5-24(31)25(32)12-19)40(3)28(45)39(2)22-14-20(29(33,34)35)13-21(15-22)30(36,37)38/h4-5,12-15,18,23,26H,6-11,16H2,1-3H3/t23-,26+/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM47085
PNG
(US8592454, 71b)
Show SMILES CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,@:16|
Show InChI InChI=1S/C29H31F7N4O3/c1-17(41)39-10-8-19(9-11-39)26(42)40-15-24(18-4-6-22(30)7-5-18)25(16-40)38(3)27(43)37(2)23-13-20(28(31,32)33)12-21(14-23)29(34,35)36/h4-7,12-14,19,24-25H,8-11,15-16H2,1-3H3/t24-,25+/m1/s1
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n/an/a 7.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM106978
PNG
(US8592454, 176)
Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C27H31Cl2FN4O3/c1-17(35)33-10-8-19(9-11-33)26(36)34-15-24(18-4-6-22(30)7-5-18)25(16-34)32(3)27(37)31(2)23-13-20(28)12-21(29)14-23/h4-7,12-14,19,24-25H,8-11,15-16H2,1-3H3/t24-,25+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM106980
PNG
(US8592454, 233)
Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(F)cc1)N(C)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,wU:5.4,15.27,wD:8.11,16.19,(-8.61,-2.74,;-7.12,-3.14,;-6.03,-2.05,;-6.43,-.57,;-4.54,-2.45,;-3.45,-1.36,;-3.85,.12,;-2.76,1.21,;-1.28,.81,;-.88,-.67,;-1.97,-1.76,;-.19,1.9,;-.59,3.39,;1.3,1.5,;2.55,2.41,;3.79,1.5,;3.32,.04,;1.78,.04,;4.09,-1.29,;3.32,-2.63,;4.09,-3.96,;5.63,-3.96,;6.4,-5.29,;6.4,-2.63,;5.63,-1.29,;5.33,1.5,;6.1,.17,;6.1,2.84,;5.33,4.17,;7.64,2.84,;8.41,1.5,;8.41,4.17,;7.64,5.51,;8.41,6.84,;9.95,6.84,;10.72,5.51,;9.95,4.17,;12.26,5.51,;13.03,6.84,;13.03,4.17,;13.8,5.51,;7.64,8.17,;8.41,9.51,;6.1,8.17,;6.87,9.51,)|
Show InChI InChI=1S/C30H33F7N4O4/c1-39(23-13-19(29(32,33)34)12-20(14-23)30(35,36)37)28(44)40(2)25-16-41(15-24(25)17-4-8-21(31)9-5-17)26(42)18-6-10-22(11-7-18)38-27(43)45-3/h4-5,8-9,12-14,18,22,24-25H,6-7,10-11,15-16H2,1-3H3,(H,38,43)/t18-,22-,24-,25+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM106982
PNG
(US8592454, 378)
Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)NC1CCOCC1)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H29F7N4O3/c1-36(21-12-17(26(29,30)31)11-18(13-21)27(32,33)34)25(40)37(2)23-15-38(24(39)35-20-7-9-41-10-8-20)14-22(23)16-3-5-19(28)6-4-16/h3-6,11-13,20,22-23H,7-10,14-15H2,1-2H3,(H,35,39)/t22-,23+/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM106983
PNG
(US8592454, 420)
Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H30F7N5O4S/c1-35(21-13-18(26(29,30)31)12-19(14-21)27(32,33)34)24(40)36(2)23-16-38(15-22(23)17-4-6-20(28)7-5-17)25(41)37-8-10-39(11-9-37)44(3,42)43/h4-7,12-14,22-23H,8-11,15-16H2,1-3H3/t22-,23+/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM106975
PNG
(US8592454, 61)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H31Cl3N4O3/c1-17(35)33-12-9-18(10-13-33)26(36)34-14-11-25(22(16-34)19-3-8-23(29)24(30)15-19)32(2)27(37)31-21-6-4-20(28)5-7-21/h3-8,15,18,22,25H,9-14,16H2,1-2H3,(H,31,37)/t22-,25+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM106977
PNG
(US8592454, 104)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(F)cc1)C1CCS(=O)(=O)CC1)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H30F7N3O3S/c1-35(22-14-18(26(29,30)31)13-19(15-22)27(32,33)34)25(38)36(2)24-7-10-37(21-8-11-41(39,40)12-9-21)16-23(24)17-3-5-20(28)6-4-17/h3-6,13-15,21,23-24H,7-12,16H2,1-2H3/t23-,24+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM106975
PNG
(US8592454, 61)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H31Cl3N4O3/c1-17(35)33-12-9-18(10-13-33)26(36)34-14-11-25(22(16-34)19-3-8-23(29)24(30)15-19)32(2)27(37)31-21-6-4-20(28)5-7-21/h3-8,15,18,22,25H,9-14,16H2,1-2H3,(H,31,37)/t22-,25+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM106983
PNG
(US8592454, 420)
Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H30F7N5O4S/c1-35(21-13-18(26(29,30)31)12-19(14-21)27(32,33)34)24(40)36(2)23-16-38(15-22(23)17-4-6-20(28)7-5-17)25(41)37-8-10-39(11-9-37)44(3,42)43/h4-7,12-14,22-23H,8-11,15-16H2,1-3H3/t22-,23+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM106979
PNG
(US8592454, 192)
Show SMILES CN([C@@H]1CN(CC1c1ccc(F)cn1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C28H30F7N5O3/c1-16(41)39-8-6-17(7-9-39)25(42)40-14-22(23-5-4-20(29)13-36-23)24(15-40)38(3)26(43)37(2)21-11-18(27(30,31)32)10-19(12-21)28(33,34)35/h4-5,10-13,17,22,24H,6-9,14-15H2,1-3H3/t22?,24-/m1/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM106976
PNG
(US8592454, 66)
Show SMILES CN([C@@H]1CN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C29H30Cl2F6N4O3/c1-16(42)40-8-6-17(7-9-40)26(43)41-14-22(18-4-5-23(30)24(31)10-18)25(15-41)39(3)27(44)38(2)21-12-19(28(32,33)34)11-20(13-21)29(35,36)37/h4-5,10-13,17,22,25H,6-9,14-15H2,1-3H3/t22?,25-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM106975
PNG
(US8592454, 61)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H31Cl3N4O3/c1-17(35)33-12-9-18(10-13-33)26(36)34-14-11-25(22(16-34)19-3-8-23(29)24(30)15-19)32(2)27(37)31-21-6-4-20(28)5-7-21/h3-8,15,18,22,25H,9-14,16H2,1-2H3,(H,31,37)/t22-,25+/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM106978
PNG
(US8592454, 176)
Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C27H31Cl2FN4O3/c1-17(35)33-10-8-19(9-11-33)26(36)34-15-24(18-4-6-22(30)7-5-18)25(16-34)32(3)27(37)31(2)23-13-20(28)12-21(29)14-23/h4-7,12-14,19,24-25H,8-11,15-16H2,1-3H3/t24-,25+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM106982
PNG
(US8592454, 378)
Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)NC1CCOCC1)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H29F7N4O3/c1-36(21-12-17(26(29,30)31)11-18(13-21)27(32,33)34)25(40)37(2)23-15-38(24(39)35-20-7-9-41-10-8-20)14-22(23)16-3-5-19(28)6-4-16/h3-6,11-13,20,22-23H,7-10,14-15H2,1-2H3,(H,35,39)/t22-,23+/m0/s1
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n/an/a 650n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM106980
PNG
(US8592454, 233)
Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(F)cc1)N(C)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,wU:5.4,15.27,wD:8.11,16.19,(-8.61,-2.74,;-7.12,-3.14,;-6.03,-2.05,;-6.43,-.57,;-4.54,-2.45,;-3.45,-1.36,;-3.85,.12,;-2.76,1.21,;-1.28,.81,;-.88,-.67,;-1.97,-1.76,;-.19,1.9,;-.59,3.39,;1.3,1.5,;2.55,2.41,;3.79,1.5,;3.32,.04,;1.78,.04,;4.09,-1.29,;3.32,-2.63,;4.09,-3.96,;5.63,-3.96,;6.4,-5.29,;6.4,-2.63,;5.63,-1.29,;5.33,1.5,;6.1,.17,;6.1,2.84,;5.33,4.17,;7.64,2.84,;8.41,1.5,;8.41,4.17,;7.64,5.51,;8.41,6.84,;9.95,6.84,;10.72,5.51,;9.95,4.17,;12.26,5.51,;13.03,6.84,;13.03,4.17,;13.8,5.51,;7.64,8.17,;8.41,9.51,;6.1,8.17,;6.87,9.51,)|
Show InChI InChI=1S/C30H33F7N4O4/c1-39(23-13-19(29(32,33)34)12-20(14-23)30(35,36)37)28(44)40(2)25-16-41(15-24(25)17-4-8-21(31)9-5-17)26(42)18-6-10-22(11-7-18)38-27(43)45-3/h4-5,8-9,12-14,18,22,24-25H,6-7,10-11,15-16H2,1-3H3,(H,38,43)/t18-,22-,24-,25+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM106974
PNG
(US8592454, 25)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C30H32Cl2F6N4O3/c1-17(43)41-9-6-18(7-10-41)27(44)42-11-8-26(23(16-42)19-4-5-24(31)25(32)12-19)40(3)28(45)39(2)22-14-20(29(33,34)35)13-21(15-22)30(36,37)38/h4-5,12-15,18,23,26H,6-11,16H2,1-3H3/t23-,26+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM106973
PNG
(US8592454, 4)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C30H33F7N4O3/c1-18(42)40-11-8-20(9-12-40)27(43)41-13-10-26(25(17-41)19-4-6-23(31)7-5-19)39(3)28(44)38(2)24-15-21(29(32,33)34)14-22(16-24)30(35,36)37/h4-7,14-16,20,25-26H,8-13,17H2,1-3H3/t25-,26+/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM106979
PNG
(US8592454, 192)
Show SMILES CN([C@@H]1CN(CC1c1ccc(F)cn1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C28H30F7N5O3/c1-16(41)39-8-6-17(7-9-39)25(42)40-14-22(23-5-4-20(29)13-36-23)24(15-40)38(3)26(43)37(2)21-11-18(27(30,31)32)10-19(12-21)28(33,34)35/h4-5,10-13,17,22,24H,6-9,14-15H2,1-3H3/t22?,24-/m1/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.

US Patent US8592454 (2013)


BindingDB Entry DOI: 10.7270/Q2XD10B0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%