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Patent code US8470816

Compile Data Set for Download or QSAR
Found 43 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))		BDBM97478
PNG
(US8470816, 91)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C29H29Cl2F6N3O3/c1-16(41)39-8-5-17(6-9-39)27(43)40-10-7-25(22(15-40)18-3-4-23(30)24(31)13-18)38(2)26(42)19-11-20(28(32,33)34)14-21(12-19)29(35,36)37/h3-4,11-14,17,22,25H,5-10,15H2,1-2H3/t22-,25+/m0/s1
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n/an/a 0.0920n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97489
PNG
(US8470816, 632)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H30Cl2F3N3O4/c1-34(26(39)17-2-5-20(6-3-17)28(31,32)33)24-10-13-36(15-21(24)19-4-7-22(29)23(30)14-19)27(40)18-8-11-35(12-9-18)25(38)16-37/h2-7,14,18,21,24,37H,8-13,15-16H2,1H3/t21-,24+/m0/s1
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n/an/a 0.220n/an/an/an/a7.5n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97485
PNG
(US8470816, 458)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H30Cl3N3O4/c1-31(26(36)17-2-5-20(28)6-3-17)24-10-13-33(15-21(24)19-4-7-22(29)23(30)14-19)27(37)18-8-11-32(12-9-18)25(35)16-34/h2-7,14,18,21,24,34H,8-13,15-16H2,1H3/t21-,24+/m0/s1
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n/an/a 0.220n/an/an/an/a7.5n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97486
PNG
(US8470816, 464)
Show SMILES CN([C@@H]1CCN(CC2CCN(CC2)C(C)=O)C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H32Cl3N3O2/c1-18(34)33-13-9-19(10-14-33)16-32-12-11-26(23(17-32)21-5-8-24(29)25(30)15-21)31(2)27(35)20-3-6-22(28)7-4-20/h3-8,15,19,23,26H,9-14,16-17H2,1-2H3/t23-,26+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97481
PNG
(US8470816, 265)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H30Cl2F3N3O3/c1-17(37)35-12-9-19(10-13-35)27(39)36-14-11-25(22(16-36)20-5-8-23(29)24(30)15-20)34(2)26(38)18-3-6-21(7-4-18)28(31,32)33/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22-,25+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97490
PNG
(US8470816, 633)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C27H30BrCl2N3O4/c1-31(26(36)17-2-5-20(28)6-3-17)24-10-13-33(15-21(24)19-4-7-22(29)23(30)14-19)27(37)18-8-11-32(12-9-18)25(35)16-34/h2-7,14,18,21,24,34H,8-13,15-16H2,1H3/t21-,24+/m0/s1
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n/an/a 0.240n/an/an/an/a7.5n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97483
PNG
(US8470816, 292)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)C1CC1 |r|
Show InChI InChI=1S/C30H35Cl2N3O3/c1-19(36)34-14-11-23(12-15-34)30(38)35-16-13-28(25(18-35)24-9-10-26(31)27(32)17-24)33(2)29(37)22-7-5-21(6-8-22)20-3-4-20/h5-10,17,20,23,25,28H,3-4,11-16,18H2,1-2H3/t25-,28+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97479
PNG
(US8470816, 251a)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H30Cl3N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22-,25+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97487
PNG
(US8470816, 623)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)C1(O)CC1)C(=O)c1ccc(cc1)N1CCOCC1 |r|
Show InChI InChI=1S/C33H40Cl2N4O5/c1-36(30(40)22-2-5-25(6-3-22)37-16-18-44-19-17-37)29-10-15-39(21-26(29)24-4-7-27(34)28(35)20-24)31(41)23-8-13-38(14-9-23)32(42)33(43)11-12-33/h2-7,20,23,26,29,43H,8-19,21H2,1H3/t26-,29+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97491
PNG
(US8470816, 635)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C27H29Cl2F3N4O4/c1-34(26(40)22-5-3-18(13-33-22)27(30,31)32)23-8-11-36(14-19(23)17-2-4-20(28)21(29)12-17)25(39)16-6-9-35(10-7-16)24(38)15-37/h2-5,12-13,16,19,23,37H,6-11,14-15H2,1H3/t19-,23+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97482
PNG
(US8470816, 268)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)N1CCOCC1 |r|
Show InChI InChI=1S/C31H38Cl2N4O4/c1-21(38)35-12-9-23(10-13-35)31(40)37-14-11-29(26(20-37)24-5-8-27(32)28(33)19-24)34(2)30(39)22-3-6-25(7-4-22)36-15-17-41-18-16-36/h3-8,19,23,26,29H,9-18,20H2,1-2H3/t26-,29+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97472
PNG
(US8470816, 18)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C27H30BrCl2N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22?,25-/m1/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97488
PNG
(US8470816, 629)
Show SMILES CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H36Cl2N4O4/c1-33(28(36)19-2-5-21(6-3-19)34-11-14-38-15-12-34)27-8-10-35(29(37)22-9-13-39-18-26(22)32)17-23(27)20-4-7-24(30)25(31)16-20/h2-7,16,22-23,26-27H,8-15,17-18,32H2,1H3/t22?,23-,26+,27+/m0/s1
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n/an/a 0.550n/an/an/an/a7.5n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97480
PNG
(US8470816, 252)
Show SMILES COc1ccc(cc1)C(=O)N(C)[C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C28H33Cl2N3O4/c1-18(34)32-13-10-20(11-14-32)28(36)33-15-12-26(23(17-33)21-6-9-24(29)25(30)16-21)31(2)27(35)19-4-7-22(37-3)8-5-19/h4-9,16,20,23,26H,10-15,17H2,1-3H3/t23-,26+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97478
PNG
(US8470816, 91)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C29H29Cl2F6N3O3/c1-16(41)39-8-5-17(6-9-39)27(43)40-10-7-25(22(15-40)18-3-4-23(30)24(31)13-18)38(2)26(42)19-11-20(28(32,33)34)14-21(12-19)29(35,36)37/h3-4,11-14,17,22,25H,5-10,15H2,1-2H3/t22-,25+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97484
PNG
(US8470816, 318)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Br)cn1 |r|
Show InChI InChI=1S/C26H29BrCl2N4O3/c1-16(34)32-10-7-17(8-11-32)25(35)33-12-9-24(20(15-33)18-3-5-21(28)22(29)13-18)31(2)26(36)23-6-4-19(27)14-30-23/h3-6,13-14,17,20,24H,7-12,15H2,1-2H3/t20-,24+/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97475
PNG
(US8470816, 30)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H30Cl3N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22?,25-/m1/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97477
PNG
(US8470816, 82)
Show SMILES CN([C@@H]1CN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C29H28Cl2F6N2O3/c1-15(40)16-3-5-17(6-4-16)27(42)39-13-22(18-7-8-23(30)24(31)11-18)25(14-39)38(2)26(41)19-9-20(28(32,33)34)12-21(10-19)29(35,36)37/h7-12,16-17,22,25H,3-6,13-14H2,1-2H3/t16?,17?,22?,25-/m1/s1
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n/an/a 1.5n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97476
PNG
(US8470816, 31)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H35Cl2N3O3/c1-22(39)37-17-14-26(15-18-37)33(41)38-19-16-31(28(21-38)27-12-13-29(34)30(35)20-27)36(2)32(40)25-10-8-24(9-11-25)23-6-4-3-5-7-23/h3-13,20,26,28,31H,14-19,21H2,1-2H3/t28?,31-/m1/s1
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n/an/a 1.70n/an/an/an/a7.5n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97474
PNG
(US8470816, 24)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C28H33Cl2N3O3/c1-18-4-6-20(7-5-18)27(35)31(3)26-12-15-33(17-23(26)22-8-9-24(29)25(30)16-22)28(36)21-10-13-32(14-11-21)19(2)34/h4-9,16,21,23,26H,10-15,17H2,1-3H3/t23?,26-/m1/s1
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n/an/a 2n/an/an/an/a7.5n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97477
PNG
(US8470816, 82)
Show SMILES CN([C@@H]1CN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C29H28Cl2F6N2O3/c1-15(40)16-3-5-17(6-4-16)27(42)39-13-22(18-7-8-23(30)24(31)11-18)25(14-39)38(2)26(41)19-9-20(28(32,33)34)12-21(10-19)29(35,36)37/h7-12,16-17,22,25H,3-6,13-14H2,1-2H3/t16?,17?,22?,25-/m1/s1
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n/an/a 2.20n/an/an/an/a7.5n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM97473
PNG
(US8470816, 21)
Show SMILES COc1ccc(cc1)C(=O)N(C)[C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C28H33Cl2N3O4/c1-18(34)32-13-10-20(11-14-32)28(36)33-15-12-26(23(17-33)21-6-9-24(29)25(30)16-21)31(2)27(35)19-4-7-22(37-3)8-5-19/h4-9,16,20,23,26H,10-15,17H2,1-3H3/t23?,26-/m1/s1
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n/an/a 2.30n/an/an/an/a7.5n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Tachykinin-3


(Homo sapiens (Human))		BDBM97475
PNG
(US8470816, 30)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H30Cl3N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22?,25-/m1/s1
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n/an/a 23n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Tachykinin-3


(Homo sapiens (Human))		BDBM97472
PNG
(US8470816, 18)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C27H30BrCl2N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22?,25-/m1/s1
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n/an/a 24n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Tachykinin-3


(Homo sapiens (Human))		BDBM97474
PNG
(US8470816, 24)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C28H33Cl2N3O3/c1-18-4-6-20(7-5-18)27(35)31(3)26-12-15-33(17-23(26)22-8-9-24(29)25(30)16-22)28(36)21-10-13-32(14-11-21)19(2)34/h4-9,16,21,23,26H,10-15,17H2,1-3H3/t23?,26-/m1/s1
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n/an/a 49n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97483
PNG
(US8470816, 292)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)C1CC1 |r|
Show InChI InChI=1S/C30H35Cl2N3O3/c1-19(36)34-14-11-23(12-15-34)30(38)35-16-13-28(25(18-35)24-9-10-26(31)27(32)17-24)33(2)29(37)22-7-5-21(6-8-22)20-3-4-20/h5-10,17,20,23,25,28H,3-4,11-16,18H2,1-2H3/t25-,28+/m0/s1
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n/an/a 62n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97472
PNG
(US8470816, 18)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C27H30BrCl2N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22?,25-/m1/s1
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n/an/a 67n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97479
PNG
(US8470816, 251a)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H30Cl3N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22-,25+/m0/s1
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n/an/a 78n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97485
PNG
(US8470816, 458)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H30Cl3N3O4/c1-31(26(36)17-2-5-20(28)6-3-17)24-10-13-33(15-21(24)19-4-7-22(29)23(30)14-19)27(37)18-8-11-32(12-9-18)25(35)16-34/h2-7,14,18,21,24,34H,8-13,15-16H2,1H3/t21-,24+/m0/s1
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n/an/a 79n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97481
PNG
(US8470816, 265)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H30Cl2F3N3O3/c1-17(37)35-12-9-19(10-13-35)27(39)36-14-11-25(22(16-36)20-5-8-23(29)24(30)15-20)34(2)26(38)18-3-6-21(7-4-18)28(31,32)33/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22-,25+/m0/s1
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n/an/a 80n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97490
PNG
(US8470816, 633)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C27H30BrCl2N3O4/c1-31(26(36)17-2-5-20(28)6-3-17)24-10-13-33(15-21(24)19-4-7-22(29)23(30)14-19)27(37)18-8-11-32(12-9-18)25(35)16-34/h2-7,14,18,21,24,34H,8-13,15-16H2,1H3/t21-,24+/m0/s1
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n/an/a 84n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Tachykinin-3


(Homo sapiens (Human))		BDBM97473
PNG
(US8470816, 21)
Show SMILES COc1ccc(cc1)C(=O)N(C)[C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C28H33Cl2N3O4/c1-18(34)32-13-10-20(11-14-32)28(36)33-15-12-26(23(17-33)21-6-9-24(29)25(30)16-21)31(2)27(35)19-4-7-22(37-3)8-5-19/h4-9,16,20,23,26H,10-15,17H2,1-3H3/t23?,26-/m1/s1
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n/an/a 130n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97489
PNG
(US8470816, 632)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H30Cl2F3N3O4/c1-34(26(39)17-2-5-20(6-3-17)28(31,32)33)24-10-13-36(15-21(24)19-4-7-22(29)23(30)14-19)27(40)18-8-11-35(12-9-18)25(38)16-37/h2-7,14,18,21,24,37H,8-13,15-16H2,1H3/t21-,24+/m0/s1
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n/an/a 140n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Tachykinin-3


(Homo sapiens (Human))		BDBM97476
PNG
(US8470816, 31)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H35Cl2N3O3/c1-22(39)37-17-14-26(15-18-37)33(41)38-19-16-31(28(21-38)27-12-13-29(34)30(35)20-27)36(2)32(40)25-10-8-24(9-11-25)23-6-4-3-5-7-23/h3-13,20,26,28,31H,14-19,21H2,1-2H3/t28?,31-/m1/s1
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n/an/a 160n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97486
PNG
(US8470816, 464)
Show SMILES CN([C@@H]1CCN(CC2CCN(CC2)C(C)=O)C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H32Cl3N3O2/c1-18(34)33-13-9-19(10-14-33)16-32-12-11-26(23(17-32)21-5-8-24(29)25(30)15-21)31(2)27(35)20-3-6-22(28)7-4-20/h3-8,15,19,23,26H,9-14,16-17H2,1-2H3/t23-,26+/m0/s1
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n/an/a 220n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97475
PNG
(US8470816, 30)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H30Cl3N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22?,25-/m1/s1
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n/an/a 240n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97480
PNG
(US8470816, 252)
Show SMILES COc1ccc(cc1)C(=O)N(C)[C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C28H33Cl2N3O4/c1-18(34)32-13-10-20(11-14-32)28(36)33-15-12-26(23(17-33)21-6-9-24(29)25(30)16-21)31(2)27(35)19-4-7-22(37-3)8-5-19/h4-9,16,20,23,26H,10-15,17H2,1-3H3/t23-,26+/m0/s1
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n/an/a 250n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97474
PNG
(US8470816, 24)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C28H33Cl2N3O3/c1-18-4-6-20(7-5-18)27(35)31(3)26-12-15-33(17-23(26)22-8-9-24(29)25(30)16-22)28(36)21-10-13-32(14-11-21)19(2)34/h4-9,16,21,23,26H,10-15,17H2,1-3H3/t23?,26-/m1/s1
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n/an/a 260n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Tachykinin-3


(Homo sapiens (Human))		BDBM97478
PNG
(US8470816, 91)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C29H29Cl2F6N3O3/c1-16(41)39-8-5-17(6-9-39)27(43)40-10-7-25(22(15-40)18-3-4-23(30)24(31)13-18)38(2)26(42)19-11-20(28(32,33)34)14-21(12-19)29(35,36)37/h3-4,11-14,17,22,25H,5-10,15H2,1-2H3/t22-,25+/m0/s1
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n/an/a 330n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97473
PNG
(US8470816, 21)
Show SMILES COc1ccc(cc1)C(=O)N(C)[C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C28H33Cl2N3O4/c1-18(34)32-13-10-20(11-14-32)28(36)33-15-12-26(23(17-33)21-6-9-24(29)25(30)16-21)31(2)27(35)19-4-7-22(37-3)8-5-19/h4-9,16,20,23,26H,10-15,17H2,1-3H3/t23?,26-/m1/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97476
PNG
(US8470816, 31)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H35Cl2N3O3/c1-22(39)37-17-14-26(15-18-37)33(41)38-19-16-31(28(21-38)27-12-13-29(34)30(35)20-27)36(2)32(40)25-10-8-24(9-11-25)23-6-4-3-5-7-23/h3-13,20,26,28,31H,14-19,21H2,1-2H3/t28?,31-/m1/s1
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n/an/a 410n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97484
PNG
(US8470816, 318)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Br)cn1 |r|
Show InChI InChI=1S/C26H29BrCl2N4O3/c1-16(34)32-10-7-17(8-11-32)25(35)33-12-9-24(20(15-33)18-3-5-21(28)22(29)13-18)31(2)26(36)23-6-4-19(27)14-30-23/h3-6,13-14,17,20,24H,7-12,15H2,1-2H3/t20-,24+/m0/s1
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n/an/a 520n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM97491
PNG
(US8470816, 635)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C27H29Cl2F3N4O4/c1-34(26(40)22-5-3-18(13-33-22)27(30,31)32)23-8-11-36(14-19(23)17-2-4-20(28)21(29)12-17)25(39)16-6-9-35(10-7-16)24(38)15-37/h2-5,12-13,16,19,23,37H,6-11,14-15H2,1H3/t19-,23+/m0/s1
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n/an/a 1.10E+3n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.

US Patent US8470816 (2013)


BindingDB Entry DOI: 10.7270/Q2NZ8688
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%