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Compile Data Set for Download or QSAR

Found 194 hits Enz. Inhib. hit(s) with Target = 'Neurotensin receptor 3'   
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
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445041
PNG
(CHEMBL3098768 | US10195186, Example 48 | US9682967...)
Show SMILES OC(=O)c1cc(ccc1C(=O)Nc1ccc2CCCCc2n1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O3/c19-18(20,21)11-6-7-12(13(9-11)17(25)26)16(24)23-15-8-5-10-3-1-2-4-14(10)22-15/h5-9H,1-4H2,(H,25,26)(H,22,23,24)
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84n/a 88n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159226
PNG
(US10195186, Example 46 | US9682967, 44)
Show SMILES Cc1nccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1
Show InChI InChI=1S/C14H10F3N3O3/c1-7-18-5-4-11(19-7)20-12(21)9-3-2-8(14(15,16)17)6-10(9)13(22)23/h2-6H,1H3,(H,22,23)(H,18,19,20,21)
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84n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445042
PNG
(CHEMBL3098767 | US10195186, Example 7 | US9682967,...)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)nc1C
Show InChI InChI=1S/C16H13F3N2O3/c1-8-3-6-13(20-9(8)2)21-14(22)11-5-4-10(16(17,18)19)7-12(11)15(23)24/h3-7H,1-2H3,(H,23,24)(H,20,21,22)
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162n/a 170n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445042
PNG
(CHEMBL3098767 | US10195186, Example 7 | US9682967,...)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)nc1C
Show InChI InChI=1S/C16H13F3N2O3/c1-8-3-6-13(20-9(8)2)21-14(22)11-5-4-10(16(17,18)19)7-12(11)15(23)24/h3-7H,1-2H3,(H,23,24)(H,20,21,22)
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162n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159232
PNG
(US10195186, Example 47 | US9682967, 45)
Show SMILES Cc1cnc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)nc1C
Show InChI InChI=1S/C15H12F3N3O3/c1-7-6-19-14(20-8(7)2)21-12(22)10-4-3-9(15(16,17)18)5-11(10)13(23)24/h3-6H,1-2H3,(H,23,24)(H,19,20,21,22)
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190n/a 200n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445055
PNG
(CHEMBL3098744 | US10195186, Example 45 | US9682967...)
Show SMILES CC(C)c1ccc(C(=O)Nc2cccc(C)n2)c(c1)C(O)=O
Show InChI InChI=1S/C17H18N2O3/c1-10(2)12-7-8-13(14(9-12)17(21)22)16(20)19-15-6-4-5-11(3)18-15/h4-10H,1-3H3,(H,21,22)(H,18,19,20)
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190n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Sortilin


(Mouse)
BDBM50445054
PNG
(CHEMBL3098745 | US10195186, Example 1 | US9682967,...)
Show SMILES Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1
Show InChI InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)10-6-5-9(15(16,17)18)7-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
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210n/a 220n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sortilin


(Mouse)
BDBM50445054
PNG
(CHEMBL3098745 | US10195186, Example 1 | US9682967,...)
Show SMILES Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1
Show InChI InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)10-6-5-9(15(16,17)18)7-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
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210n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 μl in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159140
PNG
(US10195186, Example 18 | US9682967, 18)
Show SMILES Cc1ncc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)nc1C
Show InChI InChI=1S/C15H12F3N3O3/c1-7-8(2)20-12(6-19-7)21-13(22)10-4-3-9(15(16,17)18)5-11(10)14(23)24/h3-6H,1-2H3,(H,23,24)(H,20,21,22)
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229n/a 240n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159140
PNG
(US10195186, Example 18 | US9682967, 18)
Show SMILES Cc1ncc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)nc1C
Show InChI InChI=1S/C15H12F3N3O3/c1-7-8(2)20-12(6-19-7)21-13(22)10-4-3-9(15(16,17)18)5-11(10)14(23)24/h3-6H,1-2H3,(H,23,24)(H,20,21,22)
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229n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159226
PNG
(US10195186, Example 46 | US9682967, 44)
Show SMILES Cc1nccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1
Show InChI InChI=1S/C14H10F3N3O3/c1-7-18-5-4-11(19-7)20-12(21)9-3-2-8(14(15,16)17)6-10(9)13(22)23/h2-6H,1H3,(H,22,23)(H,18,19,20,21)
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286n/a 300n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159213
PNG
(US10195186, Example 44 | US9682967, 42)
Show SMILES CC(=C)c1ccc(C(=O)Nc2cccc(C)n2)c(c1)C(O)=O
Show InChI InChI=1S/C17H16N2O3/c1-10(2)12-7-8-13(14(9-12)17(21)22)16(20)19-15-6-4-5-11(3)18-15/h4-9H,1H2,2-3H3,(H,21,22)(H,18,19,20)
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286n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159138
PNG
(US10195186, Example 16 | US9682967, 16)
Show SMILES OC(=O)c1cc(ccc1C(=O)Nc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H7ClF6N2O3/c16-10-4-7(15(20,21)22)5-23-11(10)24-12(25)8-2-1-6(14(17,18)19)3-9(8)13(26)27/h1-5H,(H,26,27)(H,23,24,25)
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343n/a 360n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159139
PNG
(US10195186, Example 17 | US9682967, 17)
Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1
Show InChI InChI=1S/C14H10F3N3O3/c1-7-4-5-18-13(19-7)20-11(21)9-3-2-8(14(15,16)17)6-10(9)12(22)23/h2-6H,1H3,(H,22,23)(H,18,19,20,21)
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343n/a 360n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159138
PNG
(US10195186, Example 16 | US9682967, 16)
Show SMILES OC(=O)c1cc(ccc1C(=O)Nc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H7ClF6N2O3/c16-10-4-7(15(20,21)22)5-23-11(10)24-12(25)8-2-1-6(14(17,18)19)3-9(8)13(26)27/h1-5H,(H,26,27)(H,23,24,25)
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343n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159139
PNG
(US10195186, Example 17 | US9682967, 17)
Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1
Show InChI InChI=1S/C14H10F3N3O3/c1-7-4-5-18-13(19-7)20-11(21)9-3-2-8(14(15,16)17)6-10(9)12(22)23/h2-6H,1H3,(H,22,23)(H,18,19,20,21)
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343n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445054
PNG
(CHEMBL3098745 | US10195186, Example 1 | US9682967,...)
Show SMILES Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1
Show InChI InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)10-6-5-9(15(16,17)18)7-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
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429n/a 450n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445054
PNG
(CHEMBL3098745 | US10195186, Example 1 | US9682967,...)
Show SMILES Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1
Show InChI InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)10-6-5-9(15(16,17)18)7-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
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429n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159123
PNG
(US10195186, Example 11 | US9682967, 11)
Show SMILES Cc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(O)=O)nc1C
Show InChI InChI=1S/C15H12Cl2N2O3/c1-7-3-4-13(18-8(7)2)19-14(20)9-5-11(16)12(17)6-10(9)15(21)22/h3-6H,1-2H3,(H,21,22)(H,18,19,20)
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457n/a 480n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159129
PNG
(US10195186, Example 13 | US9682967, 13)
Show SMILES Cc1nccc(NC(=O)c2cc(Cl)c(Cl)cc2C(O)=O)n1
Show InChI InChI=1S/C13H9Cl2N3O3/c1-6-16-3-2-11(17-6)18-12(19)7-4-9(14)10(15)5-8(7)13(20)21/h2-5H,1H3,(H,20,21)(H,16,17,18,19)
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457n/a 480n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159123
PNG
(US10195186, Example 11 | US9682967, 11)
Show SMILES Cc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(O)=O)nc1C
Show InChI InChI=1S/C15H12Cl2N2O3/c1-7-3-4-13(18-8(7)2)19-14(20)9-5-11(16)12(17)6-10(9)15(21)22/h3-6H,1-2H3,(H,21,22)(H,18,19,20)
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457n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159129
PNG
(US10195186, Example 13 | US9682967, 13)
Show SMILES Cc1nccc(NC(=O)c2cc(Cl)c(Cl)cc2C(O)=O)n1
Show InChI InChI=1S/C13H9Cl2N3O3/c1-6-16-3-2-11(17-6)18-12(19)7-4-9(14)10(15)5-8(7)13(20)21/h2-5H,1H3,(H,20,21)(H,16,17,18,19)
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457n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445044
PNG
(CHEMBL3098765 | US10195186, Example 36 | US9682967...)
Show SMILES Cc1nccc(NC(=O)c2ccc(Br)cc2C(O)=O)n1
Show InChI InChI=1S/C13H10BrN3O3/c1-7-15-5-4-11(16-7)17-12(18)9-3-2-8(14)6-10(9)13(19)20/h2-6H,1H3,(H,19,20)(H,15,16,17,18)
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467n/a 490n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159178
PNG
(US10195186, Example 34 | US9682967, 32)
Show SMILES Cc1ccc(NC(=O)c2ccc(Br)cc2C(O)=O)nn1
Show InChI InChI=1S/C13H10BrN3O3/c1-7-2-5-11(17-16-7)15-12(18)9-4-3-8(14)6-10(9)13(19)20/h2-6H,1H3,(H,19,20)(H,15,17,18)
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467n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159154
PNG
(US10195186, Example 23 | US9682967, 23)
Show SMILES Cc1ccc(NC(=O)c2ccc(Br)cc2C(O)=O)nc1C
Show InChI InChI=1S/C15H13BrN2O3/c1-8-3-6-13(17-9(8)2)18-14(19)11-5-4-10(16)7-12(11)15(20)21/h3-7H,1-2H3,(H,20,21)(H,17,18,19)
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543n/a 570n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159154
PNG
(US10195186, Example 23 | US9682967, 23)
Show SMILES Cc1ccc(NC(=O)c2ccc(Br)cc2C(O)=O)nc1C
Show InChI InChI=1S/C15H13BrN2O3/c1-8-3-6-13(17-9(8)2)18-14(19)11-5-4-10(16)7-12(11)15(20)21/h3-7H,1-2H3,(H,20,21)(H,17,18,19)
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543n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159285
PNG
(US9682967, 50)
Show SMILES Cc1nccc(NC(=O)c2cc(c(cc2C(O)=O)C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C15H9F6N3O3/c1-6-22-3-2-11(23-6)24-12(25)7-4-9(14(16,17)18)10(15(19,20)21)5-8(7)13(26)27/h2-5H,1H3,(H,26,27)(H,22,23,24,25)
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599n/a 620n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159272
PNG
(US10195186, Example 50 | US9682967, 48)
Show SMILES OC(=O)c1cc(c(cc1C(=O)Nc1ccc2CCCCc2n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O3/c20-18(21,22)12-7-10(11(17(29)30)8-13(12)19(23,24)25)16(28)27-15-6-5-9-3-1-2-4-14(9)26-15/h5-8H,1-4H2,(H,29,30)(H,26,27,28)
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599n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159286
PNG
(US9682967, 51)
Show SMILES Cc1cc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)cc(C)n1
Show InChI InChI=1S/C16H13F3N2O3/c1-8-5-11(6-9(2)20-8)21-14(22)12-4-3-10(16(17,18)19)7-13(12)15(23)24/h3-7H,1-2H3,(H,23,24)(H,20,21,22)
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614n/a 640n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159273
PNG
(US10195186, Example 51 | US9682967, 49)
Show SMILES Cc1ccc(NC(=O)c2cc(c(cc2C(O)=O)C(F)(F)F)C(F)(F)F)nc1C
Show InChI InChI=1S/C17H12F6N2O3/c1-7-3-4-13(24-8(7)2)25-14(26)9-5-11(16(18,19)20)12(17(21,22)23)6-10(9)15(27)28/h3-6H,1-2H3,(H,27,28)(H,24,25,26)
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614n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159121
PNG
(US10195186, Example 9 | US9682967, 9)
Show SMILES Cc1cc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)ccn1
Show InChI InChI=1S/C15H11F3N2O3/c1-8-6-10(4-5-19-8)20-13(21)11-3-2-9(15(16,17)18)7-12(11)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
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667n/a 700n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159121
PNG
(US10195186, Example 9 | US9682967, 9)
Show SMILES Cc1cc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)ccn1
Show InChI InChI=1S/C15H11F3N2O3/c1-8-6-10(4-5-19-8)20-13(21)11-3-2-9(15(16,17)18)7-12(11)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
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667n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159189
PNG
(US10195186, Example 38 | US9682967, 36)
Show SMILES COc1cc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)ccn1
Show InChI InChI=1S/C15H11F3N2O4/c1-24-12-7-9(4-5-19-12)20-13(21)10-3-2-8(15(16,17)18)6-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
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714n/a 750n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445044
PNG
(CHEMBL3098765 | US10195186, Example 36 | US9682967...)
Show SMILES Cc1nccc(NC(=O)c2ccc(Br)cc2C(O)=O)n1
Show InChI InChI=1S/C13H10BrN3O3/c1-7-15-5-4-11(16-7)17-12(18)9-3-2-8(14)6-10(9)13(19)20/h2-6H,1H3,(H,19,20)(H,15,16,17,18)
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714n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159272
PNG
(US10195186, Example 50 | US9682967, 48)
Show SMILES OC(=O)c1cc(c(cc1C(=O)Nc1ccc2CCCCc2n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O3/c20-18(21,22)12-7-10(11(17(29)30)8-13(12)19(23,24)25)16(28)27-15-6-5-9-3-1-2-4-14(9)26-15/h5-8H,1-4H2,(H,29,30)(H,26,27,28)
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721n/a 760n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445041
PNG
(CHEMBL3098768 | US10195186, Example 48 | US9682967...)
Show SMILES OC(=O)c1cc(ccc1C(=O)Nc1ccc2CCCCc2n1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O3/c19-18(20,21)11-6-7-12(13(9-11)17(25)26)16(24)23-15-8-5-10-3-1-2-4-14(10)22-15/h5-9H,1-4H2,(H,25,26)(H,22,23,24)
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721n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159273
PNG
(US10195186, Example 51 | US9682967, 49)
Show SMILES Cc1ccc(NC(=O)c2cc(c(cc2C(O)=O)C(F)(F)F)C(F)(F)F)nc1C
Show InChI InChI=1S/C17H12F6N2O3/c1-7-3-4-13(24-8(7)2)25-14(26)9-5-11(16(18,19)20)12(17(21,22)23)6-10(9)15(27)28/h3-6H,1-2H3,(H,27,28)(H,24,25,26)
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734n/a 750n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159271
PNG
(US10195186, Example 49 | US9682967, 47)
Show SMILES Cc1cccc(NC(=O)c2cc(c(cc2C(O)=O)C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C16H10F6N2O3/c1-7-3-2-4-12(23-7)24-13(25)8-5-10(15(17,18)19)11(16(20,21)22)6-9(8)14(26)27/h2-6H,1H3,(H,26,27)(H,23,24,25)
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734n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445051
PNG
(CHEMBL3098752 | US10195186, Example 5 | US9682967,...)
Show SMILES Cc1cccc(NC(=O)c2cc(Cl)c(Cl)cc2C(O)=O)n1
Show InChI InChI=1S/C14H10Cl2N2O3/c1-7-3-2-4-12(17-7)18-13(19)8-5-10(15)11(16)6-9(8)14(20)21/h2-6H,1H3,(H,20,21)(H,17,18,19)
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790n/a 830n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445051
PNG
(CHEMBL3098752 | US10195186, Example 5 | US9682967,...)
Show SMILES Cc1cccc(NC(=O)c2cc(Cl)c(Cl)cc2C(O)=O)n1
Show InChI InChI=1S/C14H10Cl2N2O3/c1-7-3-2-4-12(17-7)18-13(19)8-5-10(15)11(16)6-9(8)14(20)21/h2-6H,1H3,(H,20,21)(H,17,18,19)
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H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159181
PNG
(US10195186, Example 35 | US9682967, 33)
Show SMILES Cc1cc(C)nc(NC(=O)c2ccc(Br)cc2C(O)=O)c1
Show InChI InChI=1S/C15H13BrN2O3/c1-8-5-9(2)17-13(6-8)18-14(19)11-4-3-10(16)7-12(11)15(20)21/h3-7H,1-2H3,(H,20,21)(H,17,18,19)
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924n/a 970n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM332002
PNG
(5-Bromo-N-(6-methyl-pyridin-3-yl)-phthalamic acid ...)
Show SMILES Cc1ccc(NC(=O)c2ccc(Br)cc2C(O)=O)cn1
Show InChI InChI=1S/C14H11BrN2O3/c1-8-2-4-10(7-16-8)17-13(18)11-5-3-9(15)6-12(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
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H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159146
PNG
(US10195186, Example 20 | US9682967, 20)
Show SMILES OC(=O)c1cc(Br)ccc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C13H8BrClN2O3/c14-7-1-3-9(10(5-7)13(19)20)12(18)17-11-4-2-8(15)6-16-11/h1-6H,(H,19,20)(H,16,17,18)
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943n/a 990n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159146
PNG
(US10195186, Example 20 | US9682967, 20)
Show SMILES OC(=O)c1cc(Br)ccc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C13H8BrClN2O3/c14-7-1-3-9(10(5-7)13(19)20)12(18)17-11-4-2-8(15)6-16-11/h1-6H,(H,19,20)(H,16,17,18)
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943n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159117
PNG
(US10195186, Example 8 | US9682967, 8)
Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C15H11F3N2O3/c1-8-4-5-19-12(6-8)20-13(21)10-3-2-9(15(16,17)18)7-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
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952n/a 1.00E+3n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159117
PNG
(US10195186, Example 8 | US9682967, 8)
Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C15H11F3N2O3/c1-8-4-5-19-12(6-8)20-13(21)10-3-2-9(15(16,17)18)7-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
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952n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445055
PNG
(CHEMBL3098744 | US10195186, Example 45 | US9682967...)
Show SMILES CC(C)c1ccc(C(=O)Nc2cccc(C)n2)c(c1)C(O)=O
Show InChI InChI=1S/C17H18N2O3/c1-10(2)12-7-8-13(14(9-12)17(21)22)16(20)19-15-6-4-5-11(3)18-15/h4-10H,1-3H3,(H,21,22)(H,18,19,20)
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1.05E+3n/a 1.10E+3n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159210
PNG
(US10195186, Example 43 | US9682967, 41)
Show SMILES CCCc1ccc(C(=O)Nc2cccc(C)n2)c(c1)C(O)=O
Show InChI InChI=1S/C17H18N2O3/c1-3-5-12-8-9-13(14(10-12)17(21)22)16(20)19-15-7-4-6-11(2)18-15/h4,6-10H,3,5H2,1-2H3,(H,21,22)(H,18,19,20)
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1.05E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445058
PNG
(CHEMBL3098741 | US10195186, Example 2 | US9682967,...)
Show SMILES Cc1cccc(NC(=O)c2ccc(Br)cc2C(O)=O)n1
Show InChI InChI=1S/C14H11BrN2O3/c1-8-3-2-4-12(16-8)17-13(18)10-6-5-9(15)7-11(10)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
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1.14E+3n/a 1.20E+3n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445058
PNG
(CHEMBL3098741 | US10195186, Example 2 | US9682967,...)
Show SMILES Cc1cccc(NC(=O)c2ccc(Br)cc2C(O)=O)n1
Show InChI InChI=1S/C14H11BrN2O3/c1-8-3-2-4-12(16-8)17-13(18)10-6-5-9(15)7-11(10)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
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1.14E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)

More data for this
Ligand-Target Pair
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