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Patent code US10544150

Compile Data Set for Download or QSAR

Found 223 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))
BDBM430633
PNG
((4-fluorophenyl)(3-(2-morpholinothiazol-4-yl)-5,6-...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C19H19FN6O2S/c20-14-3-1-13(2-4-14)18(27)25-5-6-26-16(11-25)22-23-17(26)15-12-29-19(21-15)24-7-9-28-10-8-24/h1-4,12H,5-11H2
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Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430662
PNG
((3-(2-(2,3-dichlorophenyl)thiazol-4-yl)-5,6-dihydr...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1csc(n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H14Cl2FN5OS/c22-15-3-1-2-14(18(15)23)20-25-16(11-31-20)19-27-26-17-10-28(8-9-29(17)19)21(30)12-4-6-13(24)7-5-12/h1-7,11H,8-10H2
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Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430663
PNG
((3-(2-(4-chlorophenyl)thiazol-4-yl)-5,6-dihydro-[1...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15ClFN5OS/c22-15-5-1-13(2-6-15)20-24-17(12-30-20)19-26-25-18-11-27(9-10-28(18)19)21(29)14-3-7-16(23)8-4-14/h1-8,12H,9-11H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430686
PNG
((4-fluorophenyl)(8-methyl-3-(2-morpholinothiazol-4...)
Show SMILES CC1N(CCn2c1nnc2-c1csc(n1)N1CCOCC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN6O2S/c1-13-17-23-24-18(16-12-30-20(22-16)25-8-10-29-11-9-25)27(17)7-6-26(13)19(28)14-2-4-15(21)5-3-14/h2-5,12-13H,6-11H2,1H3
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430747
PNG
((4-fluorophenyl)(8-methyl-3-(2-phenylthiazol-4-yl)...)
Show SMILES CC1N(CCn2c1nnc2-c1csc(n1)-c1ccccc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN5OS/c1-14-19-25-26-20(18-13-30-21(24-18)15-5-3-2-4-6-15)28(19)12-11-27(14)22(29)16-7-9-17(23)10-8-16/h2-10,13-14H,11-12H2,1H3
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Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430749
PNG
((S)-(3-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-8...)
Show SMILES C[C@@H]1N(CCn2c1nnc2-c1nc(no1)-c1ccc(F)cc1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C25H19FN6O2S/c1-15-22-28-29-23(24-27-21(30-34-24)17-8-10-19(26)11-9-17)32(22)13-12-31(15)25(33)18-6-4-16(5-7-18)20-3-2-14-35-20/h2-11,14-15H,12-13H2,1H3/t15-/m0/s1
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430751
PNG
((3-(2-(2,4-difluorophenyl)thiazol-4-yl)-5,6-dihydr...)
Show SMILES Fc1ccc(-c2nc(cs2)-c2nnc3CN(CCn23)C(=O)c2ccc(cc2)-c2cccs2)c(F)c1
Show InChI InChI=1S/C25H17F2N5OS2/c26-17-7-8-18(19(27)12-17)24-28-20(14-35-24)23-30-29-22-13-31(9-10-32(22)23)25(33)16-5-3-15(4-6-16)21-2-1-11-34-21/h1-8,11-12,14H,9-10,13H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430753
PNG
((4-fluorophenyl)(3-(3-phenyl-1,2,4-oxadiazol-5-yl)...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C20H15FN6O2/c21-15-8-6-14(7-9-15)20(28)26-10-11-27-16(12-26)23-24-18(27)19-22-17(25-29-19)13-4-2-1-3-5-13/h1-9H,10-12H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430757
PNG
((3-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-5,6-d...)
Show SMILES Fc1ccc(cc1)-c1noc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C24H17FN6O2S/c25-18-9-7-16(8-10-18)21-26-23(33-29-21)22-28-27-20-14-30(11-12-31(20)22)24(32)17-5-3-15(4-6-17)19-2-1-13-34-19/h1-10,13H,11-12,14H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430762
PNG
((3-(2-(2-fluorophenyl)thiazol-4-yl)-5,6-dihydro-[1...)
Show SMILES Fc1ccccc1-c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C25H18FN5OS2/c26-19-5-2-1-4-18(19)24-27-20(15-34-24)23-29-28-22-14-30(11-12-31(22)23)25(32)17-9-7-16(8-10-17)21-6-3-13-33-21/h1-10,13,15H,11-12,14H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430773
PNG
((4-(thiophen-2-yl)phenyl)(3-(2-(thiophen-2-yl)thia...)
Show SMILES O=C(N1CCn2c(C1)nnc2-c1csc(n1)-c1cccs1)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H17N5OS3/c29-23(16-7-5-15(6-8-16)18-3-1-11-30-18)27-9-10-28-20(13-27)25-26-21(28)17-14-32-22(24-17)19-4-2-12-31-19/h1-8,11-12,14H,9-10,13H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430791
PNG
((3-(2-(4-bromophenyl)thiazol-4-yl)-5,6-dihydro-[1,...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1csc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H15BrFN5OS/c22-15-5-1-13(2-6-15)20-24-17(12-30-20)19-26-25-18-11-27(9-10-28(18)19)21(29)14-3-7-16(23)8-4-14/h1-8,12H,9-11H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430799
PNG
((3-(1-methyl-5-phenyl-1H-pyrazol-3-yl)-5,6-dihydro...)
Show SMILES Cn1nc(cc1-c1ccccc1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C26H22N6OS/c1-30-22(18-6-3-2-4-7-18)16-21(29-30)25-28-27-24-17-31(13-14-32(24)25)26(33)20-11-9-19(10-12-20)23-8-5-15-34-23/h2-12,15-16H,13-14,17H2,1H3
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430801
PNG
((3-(2-(pyridin-2-yl)thiazol-4-yl)-5,6-dihydro-[1,2...)
Show SMILES O=C(N1CCn2c(C1)nnc2-c1csc(n1)-c1ccccn1)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C24H18N6OS2/c31-24(17-8-6-16(7-9-17)20-5-3-13-32-20)29-11-12-30-21(14-29)27-28-22(30)19-15-33-23(26-19)18-4-1-2-10-25-18/h1-10,13,15H,11-12,14H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430824
PNG
((4-fluorophenyl)(3-(2-(pyrrolidin-1-yl)thiazol-4-y...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1csc(n1)N1CCCC1
Show InChI InChI=1S/C19H19FN6OS/c20-14-5-3-13(4-6-14)18(27)25-9-10-26-16(11-25)22-23-17(26)15-12-28-19(21-15)24-7-1-2-8-24/h3-6,12H,1-2,7-11H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430832
PNG
((3-(2-(4,4-difluoropiperidin-1-yl)thiazol-4-yl)-5,...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1csc(n1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C20H19F3N6OS/c21-14-3-1-13(2-4-14)18(30)28-9-10-29-16(11-28)25-26-17(29)15-12-31-19(24-15)27-7-5-20(22,23)6-8-27/h1-4,12H,5-11H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430841
PNG
((3-(2-(4-fluorophenyl)thiazol-4-yl)-8-methyl-5,6-d...)
Show SMILES CC1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1)C(=O)c1ccc(cc1)-c1sccc1C
Show InChI InChI=1S/C27H22FN5OS2/c1-16-11-14-35-23(16)18-3-5-20(6-4-18)27(34)32-12-13-33-24(17(32)2)30-31-25(33)22-15-36-26(29-22)19-7-9-21(28)10-8-19/h3-11,14-15,17H,12-13H2,1-2H3
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430843
PNG
((4-fluorophenyl)(3-(2-(2-hydroxyphenyl)thiazol-4-y...)
Show SMILES Oc1ccccc1-c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN5O2S/c22-14-7-5-13(6-8-14)21(29)26-9-10-27-18(11-26)24-25-19(27)16-12-30-20(23-16)15-3-1-2-4-17(15)28/h1-8,12,28H,9-11H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430664
PNG
((4-fluorophenyl)(3-(2-(4-fluorophenyl)thiazol-4-yl...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1csc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H15F2N5OS/c22-15-5-1-13(2-6-15)20-24-17(12-30-20)19-26-25-18-11-27(9-10-28(18)19)21(29)14-3-7-16(23)8-4-14/h1-8,12H,9-11H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430665
PNG
((4-fluorophenyl)(3-(2-(piperidin-1-yl)thiazol-4-yl...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1csc(n1)N1CCCCC1
Show InChI InChI=1S/C20H21FN6OS/c21-15-6-4-14(5-7-15)19(28)26-10-11-27-17(12-26)23-24-18(27)16-13-29-20(22-16)25-8-2-1-3-9-25/h4-7,13H,1-3,8-12H2
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Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430668
PNG
((3-(2-(3,5-dichlorophenyl)thiazol-4-yl)-5,6-dihydr...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1csc(n1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H14Cl2FN5OS/c22-14-7-13(8-15(23)9-14)20-25-17(11-31-20)19-27-26-18-10-28(5-6-29(18)19)21(30)12-1-3-16(24)4-2-12/h1-4,7-9,11H,5-6,10H2
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Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430670
PNG
((4-fluorophenyl)(3-(6-(pyrrolidin-1-yl)pyridin-2-y...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1cccc(n1)N1CCCC1
Show InChI InChI=1S/C21H21FN6O/c22-16-8-6-15(7-9-16)21(29)27-12-13-28-19(14-27)24-25-20(28)17-4-3-5-18(23-17)26-10-1-2-11-26/h3-9H,1-2,10-14H2
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Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430675
PNG
((4-fluorophenyl)(8-(4-fluorophenyl)-3-(2-phenylthi...)
Show SMILES Fc1ccc(cc1)C1N(CCn2c1nnc2-c1csc(n1)-c1ccccc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H19F2N5OS/c28-20-10-6-17(7-11-20)23-25-32-31-24(22-16-36-26(30-22)18-4-2-1-3-5-18)34(25)15-14-33(23)27(35)19-8-12-21(29)13-9-19/h1-13,16,23H,14-15H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430676
PNG
((3-(2-(3-chlorophenyl)thiazol-4-yl)-5,6-dihydro-[1...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1csc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H15ClFN5OS/c22-15-3-1-2-14(10-15)20-24-17(12-30-20)19-26-25-18-11-27(8-9-28(18)19)21(29)13-4-6-16(23)7-5-13/h1-7,10,12H,8-9,11H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430687
PNG
((4'-fluoro-[1,1'-biphenyl]-4-yl)(8-methyl-3-(2-mor...)
Show SMILES CC1N(CCn2c1nnc2-c1csc(n1)N1CCOCC1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H25FN6O2S/c1-17-23-29-30-24(22-16-36-26(28-22)31-12-14-35-15-13-31)33(23)11-10-32(17)25(34)20-4-2-18(3-5-20)19-6-8-21(27)9-7-19/h2-9,16-17H,10-15H2,1H3
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430690
PNG
((8-methyl-3-(2-morpholinothiazol-4-yl)-5,6-dihydro...)
Show SMILES CC1N(CCn2c1nnc2-c1csc(n1)N1CCOCC1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C24H24N6O2S2/c1-16-21-26-27-22(19-15-34-24(25-19)28-10-12-32-13-11-28)30(21)9-8-29(16)23(31)18-6-4-17(5-7-18)20-3-2-14-33-20/h2-7,14-16H,8-13H2,1H3
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430710
PNG
(US10544150, Compound 76 | [1,1'-biphenyl]-4-yl(3-(...)
Show SMILES CC1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H22FN5OS/c1-18-25-31-32-26(24-17-36-27(30-24)21-11-13-23(29)14-12-21)34(25)16-15-33(18)28(35)22-9-7-20(8-10-22)19-5-3-2-4-6-19/h2-14,17-18H,15-16H2,1H3
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430716
PNG
((8-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5,6-di...)
Show SMILES CC1N(CCn2c1nnc2-c1nc(no1)-c1ccccc1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C25H20N6O2S/c1-16-22-27-28-23(24-26-21(29-33-24)18-6-3-2-4-7-18)31(22)14-13-30(16)25(32)19-11-9-17(10-12-19)20-8-5-15-34-20/h2-12,15-16H,13-14H2,1H3
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430729
PNG
((4-chloro-3-fluorophenyl)(3-(2-(4-fluorophenyl)thi...)
Show SMILES CC1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1)C(=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C22H16ClF2N5OS/c1-12-19-27-28-20(18-11-32-21(26-18)13-2-5-15(24)6-3-13)30(19)9-8-29(12)22(31)14-4-7-16(23)17(25)10-14/h2-7,10-12H,8-9H2,1H3
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430737
PNG
((R)-(8-methyl-3-(2-morpholinothiazol-4-yl)-5,6-dih...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N1CCOCC1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C24H24N6O2S2/c1-16-21-26-27-22(19-15-34-24(25-19)28-10-12-32-13-11-28)30(21)9-8-29(16)23(31)18-6-4-17(5-7-18)20-3-2-14-33-20/h2-7,14-16H,8-13H2,1H3/t16-/m1/s1
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430738
PNG
((R)-(8-methyl-3-(quinolin-2-yl)-5,6-dihydro-[1,2,4...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc2ccccc2n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C26H21N5OS/c1-17-24-28-29-25(22-13-12-18-5-2-3-6-21(18)27-22)31(24)15-14-30(17)26(32)20-10-8-19(9-11-20)23-7-4-16-33-23/h2-13,16-17H,14-15H2,1H3/t17-/m1/s1
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430756
PNG
((4-fluorophenyl)(3-(3-(4-fluorophenyl)-1,2,4-oxadi...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1nc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14F2N6O2/c21-14-5-1-12(2-6-14)17-23-19(30-26-17)18-25-24-16-11-27(9-10-28(16)18)20(29)13-3-7-15(22)8-4-13/h1-8H,9-11H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430758
PNG
((3-(3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl)-5...)
Show SMILES Fc1ccc(-c2noc(n2)-c2nnc3CN(CCn23)C(=O)c2ccc(cc2)-c2cccs2)c(F)c1
Show InChI InChI=1S/C24H16F2N6O2S/c25-16-7-8-17(18(26)12-16)21-27-23(34-30-21)22-29-28-20-13-31(9-10-32(20)22)24(33)15-5-3-14(4-6-15)19-2-1-11-35-19/h1-8,11-12H,9-10,13H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430772
PNG
((4-fluorophenyl)(3-(2-(thiophen-2-yl)thiazol-4-yl)...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1csc(n1)-c1cccs1
Show InChI InChI=1S/C19H14FN5OS2/c20-13-5-3-12(4-6-13)19(26)24-7-8-25-16(10-24)22-23-17(25)14-11-28-18(21-14)15-2-1-9-27-15/h1-6,9,11H,7-8,10H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430780
PNG
((3-(2-(2-methoxyphenyl)thiazol-4-yl)-5,6-dihydro-[...)
Show SMILES COc1ccccc1-c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C26H21N5O2S2/c1-33-21-6-3-2-5-19(21)25-27-20(16-35-25)24-29-28-23-15-30(12-13-31(23)24)26(32)18-10-8-17(9-11-18)22-7-4-14-34-22/h2-11,14,16H,12-13,15H2,1H3
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430805
PNG
((3-(2-(pyridin-4-yl)thiazol-4-yl)-5,6-dihydro-[1,2...)
Show SMILES O=C(N1CCn2c(C1)nnc2-c1csc(n1)-c1ccncc1)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C24H18N6OS2/c31-24(18-5-3-16(4-6-18)20-2-1-13-32-20)29-11-12-30-21(14-29)27-28-22(30)19-15-33-23(26-19)17-7-9-25-10-8-17/h1-10,13,15H,11-12,14H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430810
PNG
((S)-(3-(2-(4-fluorophenyl)thiazol-4-yl)-8-methyl-5...)
Show SMILES C[C@@H]1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1)C(=O)c1ccc(cc1)-c1ccsc1C
Show InChI InChI=1S/C27H22FN5OS2/c1-16-24-30-31-25(23-15-36-26(29-23)19-7-9-21(28)10-8-19)33(24)13-12-32(16)27(34)20-5-3-18(4-6-20)22-11-14-35-17(22)2/h3-11,14-16H,12-13H2,1-2H3/t16-/m0/s1
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430813
PNG
(4-(4-(7-(4-(thiophen-2-yl)benzoyl)-5,6,7,8-tetrahy...)
Show SMILES O=C(N1CCn2c(C1)nnc2-c1csc(n1)-c1ccc(cc1)C#N)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C26H18N6OS2/c27-14-17-3-5-19(6-4-17)25-28-21(16-35-25)24-30-29-23-15-31(11-12-32(23)24)26(33)20-9-7-18(8-10-20)22-2-1-13-34-22/h1-10,13,16H,11-12,15H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430831
PNG
((3-(2-(2-(2-methoxyethyl)morpholino)thiazol-4-yl)-...)
Show SMILES COCCC1CN(CCO1)c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C26H28N6O3S2/c1-34-12-8-20-15-31(11-13-35-20)26-27-21(17-37-26)24-29-28-23-16-30(9-10-32(23)24)25(33)19-6-4-18(5-7-19)22-3-2-14-36-22/h2-7,14,17,20H,8-13,15-16H2,1H3
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430855
PNG
((3-(1-(2-hydroxyethyl)-3-phenyl-1H-pyrazol-5-yl)-5...)
Show SMILES OCCn1nc(cc1-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1)-c1ccccc1
Show InChI InChI=1S/C27H24N6O2S/c34-15-14-33-23(17-22(30-33)19-5-2-1-3-6-19)26-29-28-25-18-31(12-13-32(25)26)27(35)21-10-8-20(9-11-21)24-7-4-16-36-24/h1-11,16-17,34H,12-15,18H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430674
PNG
((3-(2-(3,4-dimethoxyphenyl)thiazol-4-yl)-5,6-dihyd...)
Show SMILES COc1ccc(cc1OC)-c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN5O3S/c1-31-18-8-5-15(11-19(18)32-2)22-25-17(13-33-22)21-27-26-20-12-28(9-10-29(20)21)23(30)14-3-6-16(24)7-4-14/h3-8,11,13H,9-10,12H2,1-2H3
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430681
PNG
((4-fluorophenyl)(3-(2-phenyloxazol-4-yl)-5,6-dihyd...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1coc(n1)-c1ccccc1
Show InChI InChI=1S/C21H16FN5O2/c22-16-8-6-15(7-9-16)21(28)26-10-11-27-18(12-26)24-25-19(27)17-13-29-20(23-17)14-4-2-1-3-5-14/h1-9,13H,10-12H2
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US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430682
PNG
((4-fluorophenyl)(8-methyl-3-(2-phenyloxazol-4-yl)-...)
Show SMILES CC1N(CCn2c1nnc2-c1coc(n1)-c1ccccc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN5O2/c1-14-19-25-26-20(18-13-30-21(24-18)15-5-3-2-4-6-15)28(19)12-11-27(14)22(29)16-7-9-17(23)10-8-16/h2-10,13-14H,11-12H2,1H3
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<500n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430699
PNG
((8-methyl-3-(quinolin-2-yl)-5,6-dihydro-[1,2,4]tri...)
Show SMILES CC1N(CCn2c1nnc2-c1ccc2ccccc2n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C26H21N5OS/c1-17-24-28-29-25(22-13-12-18-5-2-3-6-21(18)27-22)31(24)15-14-30(17)26(32)20-10-8-19(9-11-20)23-7-4-16-33-23/h2-13,16-17H,14-15H2,1H3
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Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430706
PNG
(US10544150, Compound 72 | [1,1'-biphenyl]-4-yl(8-m...)
Show SMILES CC1N(CCn2c1nnc2-c1sc(nc1C)-c1ccccc1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H25N5OS/c1-19-25(36-28(30-19)23-11-7-4-8-12-23)27-32-31-26-20(2)33(17-18-34(26)27)29(35)24-15-13-22(14-16-24)21-9-5-3-6-10-21/h3-16,20H,17-18H2,1-2H3
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Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430713
PNG
(US10544150, Compound 79 | [1,1'-biphenyl]-4-yl(3-(...)
Show SMILES CC1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1F)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H21F2N5OS/c1-17-25-32-33-26(24-16-37-27(31-24)22-12-11-21(29)15-23(22)30)35(25)14-13-34(17)28(36)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12,15-17H,13-14H2,1H3
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Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430727
PNG
((3,4-difluorophenyl)(3-(2-(4-fluorophenyl)thiazol-...)
Show SMILES CC1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C22H16F3N5OS/c1-12-19-27-28-20(18-11-32-21(26-18)13-2-5-15(23)6-3-13)30(19)9-8-29(12)22(31)14-4-7-16(24)17(25)10-14/h2-7,10-12H,8-9H2,1H3
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Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430736
PNG
((R)-(8-methyl-3-(2-phenylthiazol-4-yl)-5,6-dihydro...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)-c1ccccc1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C26H21N5OS2/c1-17-23-28-29-24(21-16-34-25(27-21)19-6-3-2-4-7-19)31(23)14-13-30(17)26(32)20-11-9-18(10-12-20)22-8-5-15-33-22/h2-12,15-17H,13-14H2,1H3/t17-/m1/s1
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<500n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430743
PNG
((S)-(4-fluorophenyl)(8-methyl-3-(quinolin-2-yl)-5,...)
Show SMILES C[C@@H]1N(CCn2c1nnc2-c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN5O/c1-14-20-25-26-21(19-11-8-15-4-2-3-5-18(15)24-19)28(20)13-12-27(14)22(29)16-6-9-17(23)10-7-16/h2-11,14H,12-13H2,1H3/t14-/m0/s1
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Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM430769
PNG
((3-(2-(4-chlorobenzyl)thiazol-4-yl)-5,6-dihydro-[1...)
Show SMILES Clc1ccc(Cc2nc(cs2)-c2nnc3CN(CCn23)C(=O)c2ccc(cc2)-c2cccs2)cc1
Show InChI InChI=1S/C26H20ClN5OS2/c27-20-9-3-17(4-10-20)14-24-28-21(16-35-24)25-30-29-23-15-31(11-12-32(23)25)26(33)19-7-5-18(6-8-19)22-2-1-13-34-22/h1-10,13,16H,11-12,14-15H2
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<500n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%