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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Tachykinin receptor 3 (NK3)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Tachykinin receptor 3 (NK3)


(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
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/an/an/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)

More data for this
Ligand-Target Pair
Tachykinin receptor 3 (NK3)


(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
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/an/an/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)

More data for this
Ligand-Target Pair
Tachykinin receptor 3 (NK3)


(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
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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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)

More data for this
Ligand-Target Pair
Tachykinin receptor 3 (NK3)


(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
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)

More data for this
Ligand-Target Pair
Tachykinin receptor 3 (NK3)


(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
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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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)

More data for this
Ligand-Target Pair
Tachykinin receptor 3 (NK3)


(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
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/an/an/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)

More data for this
Ligand-Target Pair