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Patent code US10941151

Compile Data Set for Download or QSAR
Found 50 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081196
PNG
(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
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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3n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251923
PNG
(BDBM272562 | US10683295, Compound 25 | US10941151,...)
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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3n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251909
PNG
(US10065961, Compound 7 | US10683295, Compound 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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4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251907
PNG
(US10065961, Compound 5 | US10683295, Compound 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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5n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081399
PNG
(CHEMBL3422016 | US10065961, Compound 19 | US106832...)
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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6n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251910
PNG
(US10065961, Compound 8 | US10683295, Compound 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
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251918
PNG
(US10065961, Compound 17 | US10683295, Compound 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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7n/an/an/an/an/an/an/an/a



Ogeda SA

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Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251918
PNG
(US10065961, Compound 17 | US10683295, Compound 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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7n/an/an/an/an/an/an/an/a



Ogeda SA

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Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081293
PNG
(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
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
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081293
PNG
(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
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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Ogeda SA

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Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251916
PNG
(US10065961, Compound 15 | US10683295, Compound 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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11n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251908
PNG
(US10065961, Compound 6 | US10683295, Compound 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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11n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251920
PNG
(US10065961, Compound 20 | US10683295, Compound 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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12n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
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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16n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
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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Ogeda SA

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Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251911
PNG
(US10065961, Compound 9 | US10683295, Compound 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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19n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM485815
PNG
((3-(2-isopropylthiazol-4-yl)- 5,6-dihydro- [1,2,4]...)
Show SMILES CN(C)c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C21H20N6OS2/c1-25(2)21-22-16(13-30-21)19-24-23-18-12-26(9-10-27(18)19)20(28)15-7-5-14(6-8-15)17-4-3-11-29-17/h3-8,11,13H,9-10,12H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251922
PNG
(US10065961, Compound 22 | US10683295, Compound 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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21n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251928
PNG
(US10065961, Compound 31 | US10683295, Compound 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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22n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251928
PNG
(US10065961, Compound 31 | US10683295, Compound 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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22n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251927
PNG
(US10065961, Compound 29 | US10683295, Compound 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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23n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251905
PNG
(US10065961, Compound 2 | US10683295, Compound 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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26n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081197
PNG
(CHEMBL3422017 | US10065961, Compound 23 | US106832...)
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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29n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081197
PNG
(CHEMBL3422017 | US10065961, Compound 23 | US106832...)
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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29n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251917
PNG
(US10065961, Compound 16 | US10941151, Compound 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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32n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251912
PNG
(US10065961, Compound 10 | US10683295, Compound 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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36n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251921
PNG
(US10065961, Compound 21 | US10683295, Compound 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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38n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251915
PNG
(US10065961, Compound 14 | US10683295, Compound 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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42n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251913
PNG
(US10065961, Compound 11 | US10683295, Compound 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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44n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251913
PNG
(US10065961, Compound 11 | US10683295, Compound 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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44n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM272564
PNG
((R)-4-methyl-2-(8-methyl- 5,6,7,8-tetrahydro- [1,2...)
Show SMILES C[C@H]1NCCn2c1nnc2-c1nc(C)co1
Show InChI InChI=1S/C10H13N5O/c1-6-5-16-10(12-6)9-14-13-8-7(2)11-3-4-15(8)9/h5,7,11H,3-4H2,1-2H3/t7-/m1/s1
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51n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251906
PNG
(US10065961, Compound 4 | US10683295, Compound 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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56n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251926
PNG
(US10065961, Compound 28 | US10683295, Compound 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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68n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251914
PNG
(US10065961, Compound 12 | US10683295, Compound 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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70n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081363
PNG
(CHEMBL3422012 | US10065961, Compound 3 | US1068329...)
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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83n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081363
PNG
(CHEMBL3422012 | US10065961, Compound 3 | US1068329...)
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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83n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: 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 vit...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50081293
PNG
(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
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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5.93E+3n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK2: The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Mem...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM251918
PNG
(US10065961, Compound 17 | US10683295, Compound 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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6.06E+3n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK1: The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Mem...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM251918
PNG
(US10065961, Compound 17 | US10683295, Compound 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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9.95E+3n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK2: The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Mem...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM251928
PNG
(US10065961, Compound 31 | US10683295, Compound 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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>1.00E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK2: The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Mem...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50081197
PNG
(CHEMBL3422017 | US10065961, Compound 23 | US106832...)
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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>1.00E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK2: The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Mem...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50081197
PNG
(CHEMBL3422017 | US10065961, Compound 23 | US106832...)
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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>1.00E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK1: The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Mem...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM251913
PNG
(US10065961, Compound 11 | US10683295, Compound 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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>1.00E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK1: The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Mem...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50081363
PNG
(CHEMBL3422012 | US10065961, Compound 3 | US1068329...)
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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US Patent
>1.00E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK2: The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Mem...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50081363
PNG
(CHEMBL3422012 | US10065961, Compound 3 | US1068329...)
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
PDB
MMDB

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US Patent
>1.00E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK1: The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Mem...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM251913
PNG
(US10065961, Compound 11 | US10683295, Compound 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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US Patent
>1.00E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK2: The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Mem...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM251928
PNG
(US10065961, Compound 31 | US10683295, Compound 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
PDB
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US Patent
>1.00E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK1: The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Mem...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
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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US Patent
1.27E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK1: The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Mem...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
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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US Patent
1.40E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK2: The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Mem...


US Patent US10941151 (2021)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50081293
PNG
(CHEMBL3422007 | US10065961, Compound 30 | US106832...)
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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US Patent
1.72E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK1: The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Mem...


US Patent US10941151 (2021)

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