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Patent code US10683295

Compile Data Set for Download or QSAR
Found 59 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))
BDBM251923
PNG
(BDBM272562 | US10683295, Compound 25 | US9475814, ...)
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 US10683295 (2020)

More data for this
Ligand-Target Pair
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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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 US10683295 (2020)

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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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 US10683295 (2020)

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 US10683295 (2020)

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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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 US10683295 (2020)

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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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 US10683295 (2020)

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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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 US10683295 (2020)

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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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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

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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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 US10683295 (2020)

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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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 US10683295 (2020)

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

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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 US10683295 (2020)

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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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 US10683295 (2020)

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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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 US10683295 (2020)

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

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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 US10683295 (2020)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM251919
PNG
(US10065961, Compound 18 | US10683295, Compound 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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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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM445679
PNG
((R)-(3-(2,5-dimethylthiazol- 4-yl)-8-methyl-5,6-di...)
Show SMILES C[C@@H]1C2NNC(N2CCN1C(=O)c1ccc(cc1)-c1cccs1)c1nc(C)sc1C
Show InChI InChI=1S/C22H25N5OS2/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/h4-9,12-13,20-21,24-25H,10-11H2,1-3H3/t13-,20?,21?/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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM445706
PNG
(US10683295, Compound 27)
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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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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

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 US10683295 (2020)

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: Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 μg/ml saponin, at pH 7.4. Binding assays consisted of 25 &...


US Patent US10683295 (2020)

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 following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 ...


US Patent US10683295 (2020)

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: Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 μg/ml saponin, at pH 7.4. Binding assays consisted of 25 &...


US Patent US10683295 (2020)

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



Ogeda SA

US Patent


Assay Description
NK1: The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 ...


US Patent US10683295 (2020)

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: Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 μg/ml saponin, at pH 7.4. Binding assays consisted of 25 &...


US Patent US10683295 (2020)

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 following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 ...


US Patent US10683295 (2020)

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



Ogeda SA

US Patent


Assay Description
NK2: Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 μg/ml saponin, at pH 7.4. Binding assays consisted of 25 &...


US Patent US10683295 (2020)

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 following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 ...


US Patent US10683295 (2020)

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



Ogeda SA

US Patent


Assay Description
NK1: The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 ...


US Patent US10683295 (2020)

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: Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 μg/ml saponin, at pH 7.4. Binding assays consisted of 25 &...


US Patent US10683295 (2020)

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



Ogeda SA

US Patent


Assay Description
NK2: Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 μg/ml saponin, at pH 7.4. Binding assays consisted of 25 &...


US Patent US10683295 (2020)

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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1.27E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK1: The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 ...


US Patent US10683295 (2020)

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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1.40E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK2: Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 μg/ml saponin, at pH 7.4. Binding assays consisted of 25 &...


US Patent US10683295 (2020)

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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1.72E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK1: The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 ...


US Patent US10683295 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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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n/an/a 1.20E+4n/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
hERG: The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generat...


US Patent US10683295 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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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n/an/a 1.70E+4n/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
hERG: The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generat...


US Patent US10683295 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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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n/an/a 2.00E+4n/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
hERG: The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generat...


US Patent US10683295 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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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n/an/a 2.50E+4n/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
hERG: The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generat...


US Patent US10683295 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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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n/an/a 2.60E+4n/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
hERG: The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generat...


US Patent US10683295 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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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n/an/a>3.00E+4n/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
hERG: The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generat...


US Patent US10683295 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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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n/an/a>3.00E+4n/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
hERG: The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generat...


US Patent US10683295 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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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n/an/a>3.00E+4n/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
hERG: The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generat...


US Patent US10683295 (2020)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG


(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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n/an/a>3.00E+4n/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
hERG: The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generat...


US Patent US10683295 (2020)

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