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Patent code US9475814

Compile Data Set for Download or QSAR
Found 83 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
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081196
PNG
(CHEMBL3422015 | US9475814, 13)
Show SMILES CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H23N5O2S/c1-14(2)22-24-18(13-30-22)21-26-25-20-15(3)27(10-11-28(20)21)23(29)17-8-6-16(7-9-17)19-5-4-12-31-19/h4-9,12-15H,10-11H2,1-3H3/t15-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251923
PNG
(US9475814, 25)
Show SMILES CC(C)c1nsc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H22N6OS2/c1-13(2)18-23-21(31-26-18)20-25-24-19-14(3)27(10-11-28(19)20)22(29)16-8-6-15(7-9-16)17-5-4-12-30-17/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251909
PNG
(US9475814, 7)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C=C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H19N5OS2/c1-3-19-23-17(13-30-19)21-25-24-20-14(2)26(10-11-27(20)21)22(28)16-8-6-15(7-9-16)18-5-4-12-29-18/h3-9,12-14H,1,10-11H2,2H3/t14-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251907
PNG
(US9475814, 5)
Show SMILES CCc1nc(cs1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H21N5OS2/c1-3-19-23-17(13-30-19)21-25-24-20-14(2)26(10-11-27(20)21)22(28)16-8-6-15(7-9-16)18-5-4-12-29-18/h4-9,12-14H,3,10-11H2,1-2H3/t14-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


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More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081399
PNG
(CHEMBL3422016 | US9475814, 19)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)cs1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H19N5OS2/c1-13-12-29-20(22-13)19-24-23-18-14(2)25(9-10-26(18)19)21(27)16-7-5-15(6-8-16)17-4-3-11-28-17/h3-8,11-12,14H,9-10H2,1-2H3/t14-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251918
PNG
(US9475814, 17)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N(C)C)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H22N6OS2/c1-14-19-24-25-20(17-13-31-22(23-17)26(2)3)28(19)11-10-27(14)21(29)16-8-6-15(7-9-16)18-5-4-12-30-18/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1
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The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251910
PNG
(US9475814, 8)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C=C)n1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H21N5OS/c1-3-21-25-20(15-31-21)23-27-26-22-16(2)28(13-14-29(22)23)24(30)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h3-12,15-16H,1,13-14H2,2H3/t16-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081293
PNG
(CHEMBL3422007 | US9475814, 30)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H21N5OS/c1-15-5-3-6-19(24-15)22-26-25-21-16(2)27(12-13-28(21)22)23(29)18-10-8-17(9-11-18)20-7-4-14-30-20/h3-11,14,16H,12-13H2,1-2H3/t16-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251916
PNG
(US9475814, 15)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(n1)C1CC1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H21N5O2S/c1-14-20-25-26-21(18-13-30-22(24-18)16-6-7-16)28(20)11-10-27(14)23(29)17-8-4-15(5-9-17)19-3-2-12-31-19/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3/t14-/m1/s1
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The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251908
PNG
(US9475814, 6)
Show SMILES CCc1nc(cs1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H23N5OS/c1-3-21-25-20(15-31-21)23-27-26-22-16(2)28(13-14-29(22)23)24(30)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15-16H,3,13-14H2,1-2H3/t16-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251920
PNG
(US9475814, 20)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)cs1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H21N5OS/c1-15-14-30-22(24-15)21-26-25-20-16(2)27(12-13-28(20)21)23(29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14,16H,12-13H2,1-2H3/t16-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US9475814, 1)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251911
PNG
(US9475814, 9)
Show SMILES C=Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H17N5OS2/c1-2-19-22-16(13-29-19)20-24-23-18-12-25(9-10-26(18)20)21(27)15-7-5-14(6-8-15)17-4-3-11-28-17/h2-8,11,13H,1,9-10,12H2
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251919
PNG
(US9475814, 18)
Show SMILES CC(C)c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H21N5OS2/c1-14(2)21-23-17(13-30-21)20-25-24-19-12-26(9-10-27(19)20)22(28)16-7-5-15(6-8-16)18-4-3-11-29-18/h3-8,11,13-14H,9-10,12H2,1-2H3
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251922
PNG
(US9475814, 22)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)c(C)s1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H21N5OS2/c1-13-15(3)30-21(23-13)20-25-24-19-14(2)26(10-11-27(19)20)22(28)17-8-6-16(7-9-17)18-5-4-12-29-18/h4-9,12,14H,10-11H2,1-3H3/t14-/m1/s1
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The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


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More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251928
PNG
(US9475814, 31)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(O)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H19N5O2S/c1-14-20-24-25-21(17-4-2-6-19(28)23-17)27(20)12-11-26(14)22(29)16-9-7-15(8-10-16)18-5-3-13-30-18/h2-10,13-14H,11-12H2,1H3,(H,23,28)/t14-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251927
PNG
(US9475814, 29)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-17-7-6-10-22(26-17)24-28-27-23-18(2)29(15-16-30(23)24)25(31)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-14,18H,15-16H2,1-2H3/t18-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


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More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251905
PNG
(US9475814, 2)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H21N5OS/c1-15-21-25-26-22(20-14-30-16(2)24-20)28(21)13-12-27(15)23(29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3/t15-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


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More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081197
PNG
(CHEMBL3422017 | US9475814, 23)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


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More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251917
PNG
(US9475814, 16)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)sc1C)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H21N5OS2/c1-13-20-24-25-21(19-14(2)30-15(3)23-19)27(20)11-10-26(13)22(28)17-8-6-16(7-9-17)18-5-4-12-29-18/h4-9,12-13H,10-11H2,1-3H3/t13-/m1/s1
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251912
PNG
(US9475814, 10)
Show SMILES C=Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H19N5OS/c1-2-21-24-19(15-30-21)22-26-25-20-14-27(12-13-28(20)22)23(29)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h2-11,15H,1,12-14H2
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251921
PNG
(US9475814, 21)
Show SMILES Cc1csc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H19N5OS/c1-15-14-29-21(23-15)20-25-24-19-13-26(11-12-27(19)20)22(28)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


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More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251915
PNG
(US9475814, 14)
Show SMILES CC(C)c1nc(co1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H21N5O2S/c1-14(2)21-23-17(13-29-21)20-25-24-19-12-26(9-10-27(19)20)22(28)16-7-5-15(6-8-16)18-4-3-11-30-18/h3-8,11,13-14H,9-10,12H2,1-2H3
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The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


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More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251913
PNG
(US9475814, 11)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H19N5O2S/c1-13-19-23-24-20(17-12-28-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-29-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


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More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251925
PNG
(US9475814, 27)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)co1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H21N5O2/c1-15-14-30-22(24-15)21-26-25-20-16(2)27(12-13-28(20)21)23(29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14,16H,12-13H2,1-2H3/t16-/m1/s1
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The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251906
PNG
(US9475814, 4)
Show SMILES FC(F)(F)c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H14F3N5OS2/c21-20(22,23)19-24-14(11-31-19)17-26-25-16-10-27(7-8-28(16)17)18(29)13-5-3-12(4-6-13)15-2-1-9-30-15/h1-6,9,11H,7-8,10H2
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The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251926
PNG
(US9475814, 28)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1cc(C)nn1C)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H22N6OS/c1-14-13-18(26(3)25-14)21-24-23-20-15(2)27(10-11-28(20)21)22(29)17-8-6-16(7-9-17)19-5-4-12-30-19/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1
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The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251914
PNG
(US9475814, 12)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H21N5O2/c1-15-21-25-26-22(20-14-30-16(2)24-20)28(21)13-12-27(15)23(29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3/t15-/m1/s1
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The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081363
PNG
(CHEMBL3422012 | US9475814, 3)
Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3
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The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50081293
PNG
(CHEMBL3422007 | US9475814, 30)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H21N5OS/c1-15-5-3-6-19(24-15)22-26-25-21-16(2)27(12-13-28(21)22)23(29)18-10-8-17(9-11-18)20-7-4-14-30-20/h3-11,14,16H,12-13H2,1-2H3/t16-/m1/s1
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The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...


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More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM251918
PNG
(US9475814, 17)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N(C)C)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H22N6OS2/c1-14-19-24-25-20(17-13-31-22(23-17)26(2)3)28(19)11-10-27(14)21(29)16-8-6-15(7-9-16)18-5-4-12-30-18/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1
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The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...


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More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM251918
PNG
(US9475814, 17)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N(C)C)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H22N6OS2/c1-14-19-24-25-20(17-13-31-22(23-17)26(2)3)28(19)11-10-27(14)21(29)16-8-6-15(7-9-16)18-5-4-12-30-18/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1
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The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...


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More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM50081197
PNG
(CHEMBL3422017 | US9475814, 23)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1
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The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...


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More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50081197
PNG
(CHEMBL3422017 | US9475814, 23)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1
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The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM251913
PNG
(US9475814, 11)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H19N5O2S/c1-13-19-23-24-20(17-12-28-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-29-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM50081363
PNG
(CHEMBL3422012 | US9475814, 3)
Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3
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The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...


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More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM251913
PNG
(US9475814, 11)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H19N5O2S/c1-13-19-23-24-20(17-12-28-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-29-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...


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More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM251928
PNG
(US9475814, 31)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(O)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H19N5O2S/c1-14-20-24-25-21(17-4-2-6-19(28)23-17)27(20)12-11-26(14)22(29)16-9-7-15(8-10-16)18-5-3-13-30-18/h2-10,13-14H,11-12H2,1H3,(H,23,28)/t14-/m1/s1
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The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50081363
PNG
(CHEMBL3422012 | US9475814, 3)
Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3
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The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM251928
PNG
(US9475814, 31)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(O)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H19N5O2S/c1-14-20-24-25-21(17-4-2-6-19(28)23-17)27(20)12-11-26(14)22(29)16-9-7-15(8-10-16)18-5-3-13-30-18/h2-10,13-14H,11-12H2,1H3,(H,23,28)/t14-/m1/s1
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The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM50081195
PNG
(CHEMBL3422010 | US9475814, 1)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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Assay Description
The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US9475814, 1)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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Assay Description
The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...


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More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM50081293
PNG
(CHEMBL3422007 | US9475814, 30)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H21N5OS/c1-15-5-3-6-19(24-15)22-26-25-21-16(2)27(12-13-28(21)22)23(29)18-10-8-17(9-11-18)20-7-4-14-30-20/h3-11,14,16H,12-13H2,1-2H3/t16-/m1/s1
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Assay Description
The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081196
PNG
(CHEMBL3422015 | US9475814, 13)
Show SMILES CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H23N5O2S/c1-14(2)22-24-18(13-30-22)21-26-25-20-15(3)27(10-11-28(20)21)23(29)17-8-6-16(7-9-17)19-5-4-12-31-19/h4-9,12-15H,10-11H2,1-3H3/t15-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


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More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081198
PNG
(CHEMBL3422018 | US9475814, 24)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H18N6OS2/c1-12-17-22-23-18(19-21-13(2)24-29-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-28-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251923
PNG
(US9475814, 25)
Show SMILES CC(C)c1nsc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H22N6OS2/c1-13(2)18-23-21(31-26-18)20-25-24-19-14(3)27(10-11-28(19)20)22(29)16-8-6-15(7-9-16)17-5-4-12-30-17/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251907
PNG
(US9475814, 5)
Show SMILES CCc1nc(cs1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H21N5OS2/c1-3-19-23-17(13-30-19)21-25-24-20-14(2)26(10-11-27(20)21)22(28)16-8-6-15(7-9-16)18-5-4-12-29-18/h4-9,12-14H,3,10-11H2,1-2H3/t14-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251909
PNG
(US9475814, 7)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C=C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H19N5OS2/c1-3-19-23-17(13-30-19)21-25-24-20-14(2)26(10-11-27(20)21)22(28)16-8-6-15(7-9-16)18-5-4-12-29-18/h3-9,12-14H,1,10-11H2,2H3/t14-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251910
PNG
(US9475814, 8)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C=C)n1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H21N5OS/c1-3-21-25-20(15-31-21)23-27-26-22-16(2)28(13-14-29(22)23)24(30)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h3-12,15-16H,1,13-14H2,2H3/t16-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251918
PNG
(US9475814, 17)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N(C)C)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H22N6OS2/c1-14-19-24-25-20(17-13-31-22(23-17)26(2)3)28(19)11-10-27(14)21(29)16-8-6-15(7-9-16)18-5-4-12-30-18/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081399
PNG
(CHEMBL3422016 | US9475814, 19)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)cs1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H19N5OS2/c1-13-12-29-20(22-13)19-24-23-18-14(2)25(9-10-26(18)19)21(27)16-7-5-15(6-8-16)17-4-3-11-28-17/h3-8,11-12,14H,9-10H2,1-2H3/t14-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251916
PNG
(US9475814, 15)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(n1)C1CC1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H21N5O2S/c1-14-20-25-26-21(18-13-30-22(24-18)16-6-7-16)28(20)11-10-27(14)23(29)17-8-4-15(5-9-17)19-3-2-12-31-19/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3/t14-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251919
PNG
(US9475814, 18)
Show SMILES CC(C)c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H21N5OS2/c1-14(2)21-23-17(13-30-21)20-25-24-19-12-26(9-10-27(19)20)22(28)16-7-5-15(6-8-16)18-4-3-11-29-18/h3-8,11,13-14H,9-10,12H2,1-2H3
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251908
PNG
(US9475814, 6)
Show SMILES CCc1nc(cs1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H23N5OS/c1-3-21-25-20(15-31-21)23-27-26-22-16(2)28(13-14-29(22)23)24(30)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15-16H,3,13-14H2,1-2H3/t16-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081293
PNG
(CHEMBL3422007 | US9475814, 30)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H21N5OS/c1-15-5-3-6-19(24-15)22-26-25-21-16(2)27(12-13-28(21)22)23(29)18-10-8-17(9-11-18)20-7-4-14-30-20/h3-11,14,16H,12-13H2,1-2H3/t16-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251920
PNG
(US9475814, 20)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)cs1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H21N5OS/c1-15-14-30-22(24-15)21-26-25-20-16(2)27(12-13-28(20)21)23(29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14,16H,12-13H2,1-2H3/t16-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251924
PNG
(US9475814, 26)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)co1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H19N5O2S/c1-13-12-28-20(22-13)19-24-23-18-14(2)25(9-10-26(18)19)21(27)16-7-5-15(6-8-16)17-4-3-11-29-17/h3-8,11-12,14H,9-10H2,1-2H3/t14-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US9475814, 1)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251927
PNG
(US9475814, 29)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-17-7-6-10-22(26-17)24-28-27-23-18(2)29(15-16-30(23)24)25(31)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-14,18H,15-16H2,1-2H3/t18-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251928
PNG
(US9475814, 31)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(O)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H19N5O2S/c1-14-20-24-25-21(17-4-2-6-19(28)23-17)27(20)12-11-26(14)22(29)16-9-7-15(8-10-16)18-5-3-13-30-18/h2-10,13-14H,11-12H2,1H3,(H,23,28)/t14-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251911
PNG
(US9475814, 9)
Show SMILES C=Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H17N5OS2/c1-2-19-22-16(13-29-19)20-24-23-18-12-25(9-10-26(18)20)21(27)15-7-5-14(6-8-15)17-4-3-11-28-17/h2-8,11,13H,1,9-10,12H2
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251912
PNG
(US9475814, 10)
Show SMILES C=Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H19N5OS/c1-2-21-24-19(15-30-21)22-26-25-20-14-27(12-13-28(20)22)23(29)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h2-11,15H,1,12-14H2
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251922
PNG
(US9475814, 22)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)c(C)s1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H21N5OS2/c1-13-15(3)30-21(23-13)20-25-24-19-14(2)26(10-11-27(19)20)22(28)17-8-6-16(7-9-17)18-5-4-12-29-18/h4-9,12,14H,10-11H2,1-3H3/t14-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251905
PNG
(US9475814, 2)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H21N5OS/c1-15-21-25-26-22(20-14-30-16(2)24-20)28(21)13-12-27(15)23(29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3/t15-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251917
PNG
(US9475814, 16)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)sc1C)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H21N5OS2/c1-13-20-24-25-21(19-14(2)30-15(3)23-19)27(20)11-10-26(13)22(28)17-8-6-16(7-9-17)18-5-4-12-29-18/h4-9,12-13H,10-11H2,1-3H3/t13-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081197
PNG
(CHEMBL3422017 | US9475814, 23)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


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More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251921
PNG
(US9475814, 21)
Show SMILES Cc1csc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H19N5OS/c1-15-14-29-21(23-15)20-25-24-19-13-26(11-12-27(19)20)22(28)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251913
PNG
(US9475814, 11)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H19N5O2S/c1-13-19-23-24-20(17-12-28-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-29-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251926
PNG
(US9475814, 28)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1cc(C)nn1C)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H22N6OS/c1-14-13-18(26(3)25-14)21-24-23-20-15(2)27(10-11-28(20)21)22(29)17-8-6-16(7-9-17)19-5-4-12-30-19/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251915
PNG
(US9475814, 14)
Show SMILES CC(C)c1nc(co1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H21N5O2S/c1-14(2)21-23-17(13-29-21)20-25-24-19-12-26(9-10-27(19)20)22(28)16-7-5-15(6-8-16)18-4-3-11-30-18/h3-8,11,13-14H,9-10,12H2,1-2H3
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251906
PNG
(US9475814, 4)
Show SMILES FC(F)(F)c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H14F3N5OS2/c21-20(22,23)19-24-14(11-31-19)17-26-25-16-10-27(7-8-28(16)17)18(29)13-5-3-12(4-6-13)15-2-1-9-30-15/h1-6,9,11H,7-8,10H2
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251925
PNG
(US9475814, 27)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)co1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H21N5O2/c1-15-14-30-22(24-15)21-26-25-20-16(2)27(12-13-28(20)21)23(29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14,16H,12-13H2,1-2H3/t16-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251914
PNG
(US9475814, 12)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H21N5O2/c1-15-21-25-26-22(20-14-30-16(2)24-20)28(21)13-12-27(15)23(29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3/t15-/m1/s1
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081363
PNG
(CHEMBL3422012 | US9475814, 3)
Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3
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Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM251922
PNG
(US9475814, 22)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)c(C)s1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H21N5OS2/c1-13-15(3)30-21(23-13)20-25-24-19-14(2)26(10-11-27(19)20)22(28)17-8-6-16(7-9-17)18-5-4-12-29-18/h4-9,12,14H,10-11H2,1-3H3/t14-/m1/s1
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The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKf current generated in ...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50081399
PNG
(CHEMBL3422016 | US9475814, 19)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)cs1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H19N5OS2/c1-13-12-29-20(22-13)19-24-23-18-14(2)25(9-10-26(18)19)21(27)16-7-5-15(6-8-16)17-4-3-11-28-17/h3-8,11-12,14H,9-10H2,1-2H3/t14-/m1/s1
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The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKf current generated in ...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM251928
PNG
(US9475814, 31)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(O)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H19N5O2S/c1-14-20-24-25-21(17-4-2-6-19(28)23-17)27(20)12-11-26(14)22(29)16-9-7-15(8-10-16)18-5-3-13-30-18/h2-10,13-14H,11-12H2,1H3,(H,23,28)/t14-/m1/s1
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The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKf current generated in ...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM251927
PNG
(US9475814, 29)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-17-7-6-10-22(26-17)24-28-27-23-18(2)29(15-16-30(23)24)25(31)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-14,18H,15-16H2,1-2H3/t18-/m1/s1
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The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKf current generated in ...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50081363
PNG
(CHEMBL3422012 | US9475814, 3)
Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3
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The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKf current generated in ...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50081195
PNG
(CHEMBL3422010 | US9475814, 1)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKf current generated in ...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM251905
PNG
(US9475814, 2)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H21N5OS/c1-15-21-25-26-22(20-14-30-16(2)24-20)28(21)13-12-27(15)23(29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3/t15-/m1/s1
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The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKf current generated in ...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM251906
PNG
(US9475814, 4)
Show SMILES FC(F)(F)c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H14F3N5OS2/c21-20(22,23)19-24-14(11-31-19)17-26-25-16-10-27(7-8-28(16)17)18(29)13-5-3-12(4-6-13)15-2-1-9-30-15/h1-6,9,11H,7-8,10H2
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Assay Description
The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKf current generated in ...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM251913
PNG
(US9475814, 11)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1coc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H19N5O2S/c1-13-19-23-24-20(17-12-28-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-29-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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Assay Description
The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKf current generated in ...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%