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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM242749'   
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))
BDBM242749
PNG
(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
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40n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals



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...


Bioorg Med Chem 17: 3934-58 (2009)


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


(Homo sapiens (Human))
BDBM242749
PNG
(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
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40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2348QHC
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM242749
PNG
(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
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40n/an/an/an/an/an/an/an/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 US10836768 (2020)


BindingDB Entry DOI: 10.7270/Q2Z03C74
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM242749
PNG
(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
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40n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM242749
PNG
(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
PDB

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40n/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


(Homo sapiens (Human))
BDBM242749
PNG
(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
PDB

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2348QHC
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM242749
PNG
(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
PDB

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n/an/a 44n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM242749
PNG
(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
PDB

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n/an/a 44n/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 US10836768 (2020)


BindingDB Entry DOI: 10.7270/Q2Z03C74
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM242749
PNG
(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
PDB

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n/an/a 44n/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