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USPatent US9840508

Compile data set for download or QSAR
Found 90 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
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362853
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C17H11F6N5OS/c1-7-13-25-26-14(11-6-30-16(24-11)17(21,22)23)28(13)3-2-27(7)15(29)8-4-9(18)12(20)10(19)5-8/h4-7H,2-3H2,1H3/t7-/m1/s1
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 13n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362853
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C17H11F6N5OS/c1-7-13-25-26-14(11-6-30-16(24-11)17(21,22)23)28(13)3-2-27(7)15(29)8-4-9(18)12(20)10(19)5-8/h4-7H,2-3H2,1H3/t7-/m1/s1
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 13n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362854
PNG
((R)-(3-chloro-4- fluorophenyl)(8-methyl-3-(2- (tri...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C17H12ClF4N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-11(19)10(18)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362854
PNG
((R)-(3-chloro-4- fluorophenyl)(8-methyl-3-(2- (tri...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C17H12ClF4N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-11(19)10(18)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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 14n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362851
PNG
((R)-(3,4-difluorophenyl)(8- methyl-3-(2- (trifluor...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C17H12F5N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-10(18)11(19)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362851
PNG
((R)-(3,4-difluorophenyl)(8- methyl-3-(2- (trifluor...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C17H12F5N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-10(18)11(19)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362856
PNG
((R)-(4-chlorophenyl)(8- methyl-3-(2- (trifluoromet...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-13-23-24-14(12-8-28-16(22-12)17(19,20)21)26(13)7-6-25(9)15(27)10-2-4-11(18)5-3-10/h2-5,8-9H,6-7H2,1H3/t9-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362856
PNG
((R)-(4-chlorophenyl)(8- methyl-3-(2- (trifluoromet...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-13-23-24-14(12-8-28-16(22-12)17(19,20)21)26(13)7-6-25(9)15(27)10-2-4-11(18)5-3-10/h2-5,8-9H,6-7H2,1H3/t9-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362841
PNG
((R)-(4-fluorophenyl)(8- methyl-3-(2- (trifluoromet...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H13F4N5OS/c1-9-13-23-24-14(12-8-28-16(22-12)17(19,20)21)26(13)7-6-25(9)15(27)10-2-4-11(18)5-3-10/h2-5,8-9H,6-7H2,1H3/t9-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362855
PNG
((R)-(4-chloro-3- fluorophenyl)(8-methyl-3-(2- (tri...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C17H12ClF4N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-10(18)11(19)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362855
PNG
((R)-(4-chloro-3- fluorophenyl)(8-methyl-3-(2- (tri...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C17H12ClF4N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-10(18)11(19)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362841
PNG
((R)-(4-fluorophenyl)(8- methyl-3-(2- (trifluoromet...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H13F4N5OS/c1-9-13-23-24-14(12-8-28-16(22-12)17(19,20)21)26(13)7-6-25(9)15(27)10-2-4-11(18)5-3-10/h2-5,8-9H,6-7H2,1H3/t9-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362849
PNG
((R)-(3,4-dichlorophenyl)(8- methyl-3-(5-methylfura...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C18H16Cl2N4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362849
PNG
((R)-(3,4-dichlorophenyl)(8- methyl-3-(5-methylfura...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C18H16Cl2N4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362850
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1F |r|
Show InChI InChI=1S/C17H10F7N5OS/c1-6-13-26-27-14(9-5-31-16(25-9)17(22,23)24)29(13)3-2-28(6)15(30)7-4-8(18)11(20)12(21)10(7)19/h4-6H,2-3H2,1H3/t6-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362850
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1F |r|
Show InChI InChI=1S/C17H10F7N5OS/c1-6-13-26-27-14(9-5-31-16(25-9)17(22,23)24)29(13)3-2-28(6)15(30)7-4-8(18)11(20)12(21)10(7)19/h4-6H,2-3H2,1H3/t6-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362845
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C18H15F3N4O2/c1-9-3-4-14(27-9)17-23-22-16-10(2)24(5-6-25(16)17)18(26)11-7-12(19)15(21)13(20)8-11/h3-4,7-8,10H,5-6H2,1-2H3/t10-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362845
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C18H15F3N4O2/c1-9-3-4-14(27-9)17-23-22-16-10(2)24(5-6-25(16)17)18(26)11-7-12(19)15(21)13(20)8-11/h3-4,7-8,10H,5-6H2,1-2H3/t10-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362848
PNG
((R)-(4-chlorophenyl)(8- methyl-3-(5-methylfuran-2-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H17ClN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362848
PNG
((R)-(4-chlorophenyl)(8- methyl-3-(5-methylfuran-2-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H17ClN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1
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 36n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362847
PNG
((R)-(4-chloro-3- fluorophenyl)(8-methyl-3-(5- meth...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C18H16ClFN4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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 38n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362847
PNG
((R)-(4-chloro-3- fluorophenyl)(8-methyl-3-(5- meth...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C18H16ClFN4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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 38n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362852
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(F)c1F |r|
Show InChI InChI=1S/C17H11F6N5OS/c1-7-13-25-26-14(10-6-30-16(24-10)17(21,22)23)28(13)5-4-27(7)15(29)8-2-3-9(18)12(20)11(8)19/h2-3,6-7H,4-5H2,1H3/t7-/m1/s1
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 40n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362852
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(F)c1F |r|
Show InChI InChI=1S/C17H11F6N5OS/c1-7-13-25-26-14(10-6-30-16(24-10)17(21,22)23)28(13)5-4-27(7)15(29)8-2-3-9(18)12(20)11(8)19/h2-3,6-7H,4-5H2,1H3/t7-/m1/s1
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 40n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362843
PNG
((R)-(3,4-difluorophenyl)(8- methyl-3-(5-methylfura...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C18H16F2N4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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 42n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362843
PNG
((R)-(3,4-difluorophenyl)(8- methyl-3-(5-methylfura...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C18H16F2N4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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 42n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362846
PNG
((R)-(3-chloro-4- fluorophenyl)(8-methyl-3-(5- meth...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C18H16ClFN4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-14(20)13(19)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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 44n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362846
PNG
((R)-(3-chloro-4- fluorophenyl)(8-methyl-3-(5- meth...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C18H16ClFN4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-14(20)13(19)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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 44n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362839
PNG
((R)-(4-fluorophenyl)(8- methyl-3-(5-methylfuran-2-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H17FN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1
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 48n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362839
PNG
((R)-(4-fluorophenyl)(8- methyl-3-(5-methylfuran-2-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H17FN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1
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 48n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362842
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1cc(F)c(F)c(F)c1F |r|
Show InChI InChI=1S/C18H14F4N4O2/c1-8-3-4-12(28-8)17-24-23-16-9(2)25(5-6-26(16)17)18(27)10-7-11(19)14(21)15(22)13(10)20/h3-4,7,9H,5-6H2,1-2H3/t9-/m1/s1
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 52n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362842
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1cc(F)c(F)c(F)c1F |r|
Show InChI InChI=1S/C18H14F4N4O2/c1-8-3-4-12(28-8)17-24-23-16-9(2)25(5-6-26(16)17)18(27)10-7-11(19)14(21)15(22)13(10)20/h3-4,7,9H,5-6H2,1-2H3/t9-/m1/s1
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 52n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362844
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(F)c1F |r|
Show InChI InChI=1S/C18H15F3N4O2/c1-9-3-6-13(27-9)17-23-22-16-10(2)24(7-8-25(16)17)18(26)11-4-5-12(19)15(21)14(11)20/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1
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 74n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362844
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(F)c1F |r|
Show InChI InChI=1S/C18H15F3N4O2/c1-9-3-6-13(27-9)17-23-22-16-10(2)24(7-8-25(16)17)18(26)11-4-5-12(19)15(21)14(11)20/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1
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 74n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50081280
PNG
(CHEMBL3422005 | US9840508, Compound 2)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H16FN5OS/c1-10-15-20-21-16(14-9-25-11(2)19-14)23(15)8-7-22(10)17(24)12-3-5-13(18)6-4-12/h3-6,9-10H,7-8H2,1-2H3/t10-/m1/s1
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 100n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50081280
PNG
(CHEMBL3422005 | US9840508, Compound 2)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H16FN5OS/c1-10-15-20-21-16(14-9-25-11(2)19-14)23(15)8-7-22(10)17(24)12-3-5-13(18)6-4-12/h3-6,9-10H,7-8H2,1-2H3/t10-/m1/s1
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 100n/an/an/an/an/an/an/an/a



OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362854
PNG
((R)-(3-chloro-4- fluorophenyl)(8-methyl-3-(2- (tri...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C17H12ClF4N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-11(19)10(18)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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 1.50E+3n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362853
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C17H11F6N5OS/c1-7-13-25-26-14(11-6-30-16(24-11)17(21,22)23)28(13)3-2-27(7)15(29)8-4-9(18)12(20)10(19)5-8/h4-7H,2-3H2,1H3/t7-/m1/s1
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 3.50E+3n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362849
PNG
((R)-(3,4-dichlorophenyl)(8- methyl-3-(5-methylfura...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C18H16Cl2N4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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 4.20E+3n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362850
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1F |r|
Show InChI InChI=1S/C17H10F7N5OS/c1-6-13-26-27-14(9-5-31-16(25-9)17(22,23)24)29(13)3-2-28(6)15(30)7-4-8(18)11(20)12(21)10(7)19/h4-6H,2-3H2,1H3/t6-/m1/s1
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 4.70E+3n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362855
PNG
((R)-(4-chloro-3- fluorophenyl)(8-methyl-3-(2- (tri...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C17H12ClF4N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-10(18)11(19)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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 5.20E+3n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362856
PNG
((R)-(4-chlorophenyl)(8- methyl-3-(2- (trifluoromet...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-13-23-24-14(12-8-28-16(22-12)17(19,20)21)26(13)7-6-25(9)15(27)10-2-4-11(18)5-3-10/h2-5,8-9H,6-7H2,1H3/t9-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362841
PNG
((R)-(4-fluorophenyl)(8- methyl-3-(2- (trifluoromet...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H13F4N5OS/c1-9-13-23-24-14(12-8-28-16(22-12)17(19,20)21)26(13)7-6-25(9)15(27)10-2-4-11(18)5-3-10/h2-5,8-9H,6-7H2,1H3/t9-/m1/s1
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 6.60E+3n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362849
PNG
((R)-(3,4-dichlorophenyl)(8- methyl-3-(5-methylfura...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C18H16Cl2N4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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 6.90E+3n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362851
PNG
((R)-(3,4-difluorophenyl)(8- methyl-3-(2- (trifluor...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C17H12F5N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-10(18)11(19)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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 7.00E+3n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362846
PNG
((R)-(3-chloro-4- fluorophenyl)(8-methyl-3-(5- meth...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C18H16ClFN4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-14(20)13(19)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362854
PNG
((R)-(3-chloro-4- fluorophenyl)(8-methyl-3-(2- (tri...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C17H12ClF4N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-11(19)10(18)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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 9.40E+3n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362855
PNG
((R)-(4-chloro-3- fluorophenyl)(8-methyl-3-(2- (tri...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C17H12ClF4N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-10(18)11(19)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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 1.20E+4n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362847
PNG
((R)-(4-chloro-3- fluorophenyl)(8-methyl-3-(5- meth...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C18H16ClFN4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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 1.30E+4n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362847
PNG
((R)-(4-chloro-3- fluorophenyl)(8-methyl-3-(5- meth...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C18H16ClFN4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362856
PNG
((R)-(4-chlorophenyl)(8- methyl-3-(2- (trifluoromet...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-13-23-24-14(12-8-28-16(22-12)17(19,20)21)26(13)7-6-25(9)15(27)10-2-4-11(18)5-3-10/h2-5,8-9H,6-7H2,1H3/t9-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362852
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(F)c1F |r|
Show InChI InChI=1S/C17H11F6N5OS/c1-7-13-25-26-14(10-6-30-16(24-10)17(21,22)23)28(13)5-4-27(7)15(29)8-2-3-9(18)12(20)11(8)19/h2-3,6-7H,4-5H2,1H3/t7-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362846
PNG
((R)-(3-chloro-4- fluorophenyl)(8-methyl-3-(5- meth...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C18H16ClFN4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-14(20)13(19)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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 1.80E+4n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362850
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1F |r|
Show InChI InChI=1S/C17H10F7N5OS/c1-6-13-26-27-14(9-5-31-16(25-9)17(22,23)24)29(13)3-2-28(6)15(30)7-4-8(18)11(20)12(21)10(7)19/h4-6H,2-3H2,1H3/t6-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362845
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C18H15F3N4O2/c1-9-3-4-14(27-9)17-23-22-16-10(2)24(5-6-25(16)17)18(26)11-7-12(19)15(21)13(20)8-11/h3-4,7-8,10H,5-6H2,1-2H3/t10-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362851
PNG
((R)-(3,4-difluorophenyl)(8- methyl-3-(2- (trifluor...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C17H12F5N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-10(18)11(19)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362848
PNG
((R)-(4-chlorophenyl)(8- methyl-3-(5-methylfuran-2-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H17ClN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362853
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C17H11F6N5OS/c1-7-13-25-26-14(11-6-30-16(24-11)17(21,22)23)28(13)3-2-27(7)15(29)8-4-9(18)12(20)10(19)5-8/h4-7H,2-3H2,1H3/t7-/m1/s1
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 2.40E+4n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362848
PNG
((R)-(4-chlorophenyl)(8- methyl-3-(5-methylfuran-2-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H17ClN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362845
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C18H15F3N4O2/c1-9-3-4-14(27-9)17-23-22-16-10(2)24(5-6-25(16)17)18(26)11-7-12(19)15(21)13(20)8-11/h3-4,7-8,10H,5-6H2,1-2H3/t10-/m1/s1
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 2.70E+4n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362852
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(F)c1F |r|
Show InChI InChI=1S/C17H11F6N5OS/c1-7-13-25-26-14(10-6-30-16(24-10)17(21,22)23)28(13)5-4-27(7)15(29)8-2-3-9(18)12(20)11(8)19/h2-3,6-7H,4-5H2,1H3/t7-/m1/s1
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 2.80E+4n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362839
PNG
((R)-(4-fluorophenyl)(8- methyl-3-(5-methylfuran-2-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H17FN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50081280
PNG
(CHEMBL3422005 | US9840508, Compound 2)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H16FN5OS/c1-10-15-20-21-16(14-9-25-11(2)19-14)23(15)8-7-22(10)17(24)12-3-5-13(18)6-4-12/h3-6,9-10H,7-8H2,1-2H3/t10-/m1/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50081280
PNG
(CHEMBL3422005 | US9840508, Compound 2)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H16FN5OS/c1-10-15-20-21-16(14-9-25-11(2)19-14)23(15)8-7-22(10)17(24)12-3-5-13(18)6-4-12/h3-6,9-10H,7-8H2,1-2H3/t10-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362843
PNG
((R)-(3,4-difluorophenyl)(8- methyl-3-(5-methylfura...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C18H16F2N4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362842
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1cc(F)c(F)c(F)c1F |r|
Show InChI InChI=1S/C18H14F4N4O2/c1-8-3-4-12(28-8)17-24-23-16-9(2)25(5-6-26(16)17)18(27)10-7-11(19)14(21)15(22)13(10)20/h3-4,7,9H,5-6H2,1-2H3/t9-/m1/s1
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 3.00E+4n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362844
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(F)c1F |r|
Show InChI InChI=1S/C18H15F3N4O2/c1-9-3-6-13(27-9)17-23-22-16-10(2)24(7-8-25(16)17)18(26)11-4-5-12(19)15(21)14(11)20/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362842
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1cc(F)c(F)c(F)c1F |r|
Show InChI InChI=1S/C18H14F4N4O2/c1-8-3-4-12(28-8)17-24-23-16-9(2)25(5-6-26(16)17)18(27)10-7-11(19)14(21)15(22)13(10)20/h3-4,7,9H,5-6H2,1-2H3/t9-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362841
PNG
((R)-(4-fluorophenyl)(8- methyl-3-(2- (trifluoromet...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H13F4N5OS/c1-9-13-23-24-14(12-8-28-16(22-12)17(19,20)21)26(13)7-6-25(9)15(27)10-2-4-11(18)5-3-10/h2-5,8-9H,6-7H2,1H3/t9-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM362844
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(F)c1F |r|
Show InChI InChI=1S/C18H15F3N4O2/c1-9-3-6-13(27-9)17-23-22-16-10(2)24(7-8-25(16)17)18(26)11-4-5-12(19)15(21)14(11)20/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1
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OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362843
PNG
((R)-(3,4-difluorophenyl)(8- methyl-3-(5-methylfura...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C18H16F2N4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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 3.10E+4n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM362839
PNG
((R)-(4-fluorophenyl)(8- methyl-3-(5-methylfuran-2-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H17FN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1
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 5.20E+4n/an/an/an/an/an/an/an/a



OGED SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362841
PNG
((R)-(4-fluorophenyl)(8- methyl-3-(2- (trifluoromet...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H13F4N5OS/c1-9-13-23-24-14(12-8-28-16(22-12)17(19,20)21)26(13)7-6-25(9)15(27)10-2-4-11(18)5-3-10/h2-5,8-9H,6-7H2,1H3/t9-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362854
PNG
((R)-(3-chloro-4- fluorophenyl)(8-methyl-3-(2- (tri...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C17H12ClF4N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-11(19)10(18)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362853
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C17H11F6N5OS/c1-7-13-25-26-14(11-6-30-16(24-11)17(21,22)23)28(13)3-2-27(7)15(29)8-4-9(18)12(20)10(19)5-8/h4-7H,2-3H2,1H3/t7-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362851
PNG
((R)-(3,4-difluorophenyl)(8- methyl-3-(2- (trifluor...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C17H12F5N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-10(18)11(19)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362856
PNG
((R)-(4-chlorophenyl)(8- methyl-3-(2- (trifluoromet...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-13-23-24-14(12-8-28-16(22-12)17(19,20)21)26(13)7-6-25(9)15(27)10-2-4-11(18)5-3-10/h2-5,8-9H,6-7H2,1H3/t9-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362850
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1F |r|
Show InChI InChI=1S/C17H10F7N5OS/c1-6-13-26-27-14(9-5-31-16(25-9)17(22,23)24)29(13)3-2-28(6)15(30)7-4-8(18)11(20)12(21)10(7)19/h4-6H,2-3H2,1H3/t6-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362849
PNG
((R)-(3,4-dichlorophenyl)(8- methyl-3-(5-methylfura...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C18H16Cl2N4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362855
PNG
((R)-(4-chloro-3- fluorophenyl)(8-methyl-3-(2- (tri...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C17H12ClF4N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-10(18)11(19)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1
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OGED SA

US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362843
PNG
((R)-(3,4-difluorophenyl)(8- methyl-3-(5-methylfura...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C18H16F2N4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362847
PNG
((R)-(4-chloro-3- fluorophenyl)(8-methyl-3-(5- meth...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C18H16ClFN4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362845
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C18H15F3N4O2/c1-9-3-4-14(27-9)17-23-22-16-10(2)24(5-6-25(16)17)18(26)11-7-12(19)15(21)13(20)8-11/h3-4,7-8,10H,5-6H2,1-2H3/t10-/m1/s1
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US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362852
PNG
((R)-(8-methyl-3-(2- (trifluoromethyl)thiazol-4-yl)...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(F)c1F |r|
Show InChI InChI=1S/C17H11F6N5OS/c1-7-13-25-26-14(10-6-30-16(24-10)17(21,22)23)28(13)5-4-27(7)15(29)8-2-3-9(18)12(20)11(8)19/h2-3,6-7H,4-5H2,1H3/t7-/m1/s1
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US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362839
PNG
((R)-(4-fluorophenyl)(8- methyl-3-(5-methylfuran-2-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H17FN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1
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US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362846
PNG
((R)-(3-chloro-4- fluorophenyl)(8-methyl-3-(5- meth...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C18H16ClFN4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-14(20)13(19)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
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US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362842
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1cc(F)c(F)c(F)c1F |r|
Show InChI InChI=1S/C18H14F4N4O2/c1-8-3-4-12(28-8)17-24-23-16-9(2)25(5-6-26(16)17)18(27)10-7-11(19)14(21)15(22)13(10)20/h3-4,7,9H,5-6H2,1-2H3/t9-/m1/s1
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US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362848
PNG
((R)-(4-chlorophenyl)(8- methyl-3-(5-methylfuran-2-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H17ClN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1
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US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM362844
PNG
((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)c(F)c1F |r|
Show InChI InChI=1S/C18H15F3N4O2/c1-9-3-6-13(27-9)17-23-22-16-10(2)24(7-8-25(16)17)18(26)11-4-5-12(19)15(21)14(11)20/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1
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US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50081280
PNG
(CHEMBL3422005 | US9840508, Compound 2)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H16FN5OS/c1-10-15-20-21-16(14-9-25-11(2)19-14)23(15)8-7-22(10)17(24)12-3-5-13(18)6-4-12/h3-6,9-10H,7-8H2,1-2H3/t10-/m1/s1
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US Patent


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

US Patent US9840508 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92P6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%