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BDBM242747 US10030025, Compound 10::US9422299, 10::US9987274, Compound 10

SMILES: C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F

InChI Key: InChIKey=OWGILKMONFDDTK-ZCFIWIBFSA-N

Data: 9 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 242747   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM242747
PNG
(US10030025, Compound 10 | US9422299, 10 | US998727...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3/t6-/m1/s1
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31n/an/an/an/an/an/a7.4n/a



Ogeda SA

US Patent


Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


US Patent US10030025 (2018)


BindingDB Entry DOI: 10.7270/Q2B56MSG
More data for this
Ligand-Target Pair
Neuromedin-K receptor (NK-3 receptor)


(Homo sapiens (Human))
BDBM242747
PNG
(US10030025, Compound 10 | US9422299, 10 | US998727...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3/t6-/m1/s1
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31n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


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


US Patent US9987274 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C9W
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM242747
PNG
(US10030025, Compound 10 | US9422299, 10 | US998727...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3/t6-/m1/s1
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31n/an/an/an/an/an/a7.4n/a



Euroscreen SA

US Patent


Assay Description
The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...


US Patent US9422299 (2016)


BindingDB Entry DOI: 10.7270/Q2GM866C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM242747
PNG
(US10030025, Compound 10 | US9422299, 10 | US998727...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3/t6-/m1/s1
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>3.00E+4>-6.17n/an/an/an/an/a7.425



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 US10030025 (2018)


BindingDB Entry DOI: 10.7270/Q2B56MSG
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM242747
PNG
(US10030025, Compound 10 | US9422299, 10 | US998727...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3/t6-/m1/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


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


US Patent US9987274 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C9W
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM242747
PNG
(US10030025, Compound 10 | US9422299, 10 | US998727...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3/t6-/m1/s1
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>3.00E+4>-6.17n/an/an/an/an/a7.425



Euroscreen 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 US9422299 (2016)


BindingDB Entry DOI: 10.7270/Q2GM866C
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM242747
PNG
(US10030025, Compound 10 | US9422299, 10 | US998727...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3/t6-/m1/s1
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4.90E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


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


US Patent US9987274 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C9W
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM242747
PNG
(US10030025, Compound 10 | US9422299, 10 | US998727...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3/t6-/m1/s1
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4.90E+4 -5.88n/an/an/an/an/a7.425



Ogeda 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 US10030025 (2018)


BindingDB Entry DOI: 10.7270/Q2B56MSG
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM242747
PNG
(US10030025, Compound 10 | US9422299, 10 | US998727...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3/t6-/m1/s1
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4.90E+4 -5.88n/an/an/an/an/a7.425



Euroscreen 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 US9422299 (2016)


BindingDB Entry DOI: 10.7270/Q2GM866C
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM242747
PNG
(US10030025, Compound 10 | US9422299, 10 | US998727...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3/t6-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Euroscreen SA

US Patent


Assay Description
Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for th...


US Patent US9422299 (2016)


BindingDB Entry DOI: 10.7270/Q2GM866C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM242747
PNG
(US10030025, Compound 10 | US9422299, 10 | US998727...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3/t6-/m1/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
The human ether-a-go-go related gene (hERG) encodes the inward rectifying voltage gated potassium channel in the heart (IKr) which is involved in car...


US Patent US10030025 (2018)


BindingDB Entry DOI: 10.7270/Q2B56MSG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM242747
PNG
(US10030025, Compound 10 | US9422299, 10 | US998727...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3/t6-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...


US Patent US10030025 (2018)


BindingDB Entry DOI: 10.7270/Q2B56MSG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM242747
PNG
(US10030025, Compound 10 | US9422299, 10 | US998727...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3/t6-/m1/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Euroscreen SA

US Patent


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


US Patent US9422299 (2016)


BindingDB Entry DOI: 10.7270/Q2GM866C
More data for this
Ligand-Target Pair