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Patent code US10214533

Compile Data Set for Download or QSAR
Found 23 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))
BDBM357793
PNG
((4-chloro-3- fluorophenyl)(3-(3-methyl- 1,2,4-thia...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C15H12ClFN6OS/c1-8-18-14(25-21-8)13-20-19-12-7-22(4-5-23(12)13)15(24)9-2-3-10(16)11(17)6-9/h2-3,6H,4-5,7H2,1H3
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93n/an/an/an/an/an/an/an/a



OGEDA 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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM357792
PNG
((4-chlorophenyl)(3-(3- methyl-1,2,4-thiadiazol-5- ...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H13ClN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3
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OGEDA 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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM357794
PNG
((3-chloro-4- fluorophenyl)(3-(3-methyl- 1,2,4-thia...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H12ClFN6OS/c1-8-18-14(25-21-8)13-20-19-12-7-22(4-5-23(12)13)15(24)9-2-3-11(17)10(16)6-9/h2-3,6H,4-5,7H2,1H3
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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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50112183
PNG
(CHEMBL3608684 | US10214533, Compound 1)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3
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OGEDA 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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM357796
PNG
((3-(3-methyl-1,2,4- thiadiazol-5-yl)-5,6- dihydro-...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C15H11F3N6OS/c1-7-19-14(26-22-7)13-21-20-11-6-23(2-3-24(11)13)15(25)8-4-9(16)12(18)10(17)5-8/h4-5H,2-3,6H2,1H3
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


US Patent US10214533 (2019)

More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM357795
PNG
((3,4-difluorophenyl)(3-(3- methyl-1,2,4-thiadiazol...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C15H12F2N6OS/c1-8-18-14(25-21-8)13-20-19-12-7-22(4-5-23(12)13)15(24)9-2-3-10(16)11(17)6-9/h2-3,6H,4-5,7H2,1H3
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


US Patent US10214533 (2019)

More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM357797
PNG
((3-(3-methyl-1,2,4- thiadiazol-5-yl)-5,6- dihydro-...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)c(F)c1F
Show InChI InChI=1S/C15H11F3N6OS/c1-7-19-14(26-22-7)13-21-20-10-6-23(4-5-24(10)13)15(25)8-2-3-9(16)12(18)11(8)17/h2-3H,4-6H2,1H3
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Assay Description
The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...


US Patent US10214533 (2019)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50112183
PNG
(CHEMBL3608684 | US10214533, Compound 1)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3
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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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM357792
PNG
((4-chlorophenyl)(3-(3- methyl-1,2,4-thiadiazol-5- ...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H13ClN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3
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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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM357795
PNG
((3,4-difluorophenyl)(3-(3- methyl-1,2,4-thiadiazol...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C15H12F2N6OS/c1-8-18-14(25-21-8)13-20-19-12-7-22(4-5-23(12)13)15(24)9-2-3-10(16)11(17)6-9/h2-3,6H,4-5,7H2,1H3
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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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM357793
PNG
((4-chloro-3- fluorophenyl)(3-(3-methyl- 1,2,4-thia...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C15H12ClFN6OS/c1-8-18-14(25-21-8)13-20-19-12-7-22(4-5-23(12)13)15(24)9-2-3-10(16)11(17)6-9/h2-3,6H,4-5,7H2,1H3
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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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM357794
PNG
((3-chloro-4- fluorophenyl)(3-(3-methyl- 1,2,4-thia...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H12ClFN6OS/c1-8-18-14(25-21-8)13-20-19-12-7-22(4-5-23(12)13)15(24)9-2-3-11(17)10(16)6-9/h2-3,6H,4-5,7H2,1H3
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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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM357796
PNG
((3-(3-methyl-1,2,4- thiadiazol-5-yl)-5,6- dihydro-...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C15H11F3N6OS/c1-7-19-14(26-22-7)13-21-20-11-6-23(2-3-24(11)13)15(25)8-4-9(16)12(18)10(17)5-8/h4-5H,2-3,6H2,1H3
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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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM357797
PNG
((3-(3-methyl-1,2,4- thiadiazol-5-yl)-5,6- dihydro-...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)c(F)c1F
Show InChI InChI=1S/C15H11F3N6OS/c1-7-19-14(26-22-7)13-21-20-10-6-23(4-5-24(10)13)15(25)8-2-3-9(16)12(18)11(8)17/h2-3H,4-6H2,1H3
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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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM357796
PNG
((3-(3-methyl-1,2,4- thiadiazol-5-yl)-5,6- dihydro-...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C15H11F3N6OS/c1-7-19-14(26-22-7)13-21-20-11-6-23(2-3-24(11)13)15(25)8-4-9(16)12(18)10(17)5-8/h4-5H,2-3,6H2,1H3
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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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM357792
PNG
((4-chlorophenyl)(3-(3- methyl-1,2,4-thiadiazol-5- ...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H13ClN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3
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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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM357794
PNG
((3-chloro-4- fluorophenyl)(3-(3-methyl- 1,2,4-thia...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H12ClFN6OS/c1-8-18-14(25-21-8)13-20-19-12-7-22(4-5-23(12)13)15(24)9-2-3-11(17)10(16)6-9/h2-3,6H,4-5,7H2,1H3
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OGEDA 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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM357797
PNG
((3-(3-methyl-1,2,4- thiadiazol-5-yl)-5,6- dihydro-...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)c(F)c1F
Show InChI InChI=1S/C15H11F3N6OS/c1-7-19-14(26-22-7)13-21-20-10-6-23(4-5-24(10)13)15(25)8-2-3-9(16)12(18)11(8)17/h2-3H,4-6H2,1H3
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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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50112183
PNG
(CHEMBL3608684 | US10214533, Compound 1)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3
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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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM357793
PNG
((4-chloro-3- fluorophenyl)(3-(3-methyl- 1,2,4-thia...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C15H12ClFN6OS/c1-8-18-14(25-21-8)13-20-19-12-7-22(4-5-23(12)13)15(24)9-2-3-10(16)11(17)6-9/h2-3,6H,4-5,7H2,1H3
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OGEDA 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 US10214533 (2019)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM357795
PNG
((3,4-difluorophenyl)(3-(3- methyl-1,2,4-thiadiazol...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C15H12F2N6OS/c1-8-18-14(25-21-8)13-20-19-12-7-22(4-5-23(12)13)15(24)9-2-3-10(16)11(17)6-9/h2-3,6H,4-5,7H2,1H3
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OGEDA 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 US10214533 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM357792
PNG
((4-chlorophenyl)(3-(3- methyl-1,2,4-thiadiazol-5- ...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H13ClN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



OGEDA SA

US Patent


Assay Description
The determination of plasma protein binding (PPB) of a compound is enabled by equilibrium dialysis, an accepted and standard method for reliable esti...


US Patent US10214533 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50112183
PNG
(CHEMBL3608684 | US10214533, Compound 1)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



OGEDA SA

US Patent


Assay Description
The determination of plasma protein binding (PPB) of a compound is enabled by equilibrium dialysis, an accepted and standard method for reliable esti...


US Patent US10214533 (2019)

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Ligand-Target Pair
* indicates data uncertainty>20%