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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'gaubert' and Initial = 'g'   
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
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50414848
PNG
(CHEMBL572531)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Cl)c(Cl)c1 |w:5.5|
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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n/an/an/an/a 1.00E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50414856
PNG
(CHEMBL573519)
Show SMILES [#6]-n1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc1-c1ccccc1C(F)(F)F |w:3.2|
Show InChI InChI=1S/C14H14F3N5/c1-22-9(8-20-21-13(18)19)6-7-12(22)10-4-2-3-5-11(10)14(15,16)17/h2-8H,1H3,(H4,18,19,21)
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n/an/an/an/a 316n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50394977
PNG
(CHEMBL583068)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Cl)c(c1)C(F)(F)F |w:5.5|
Show InChI InChI=1S/C9H8ClF3N4/c10-7-2-1-5(4-16-17-8(14)15)3-6(7)9(11,12)13/h1-4H,(H4,14,15,17)
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n/an/an/an/a 501n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50394977
PNG
(CHEMBL583068)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Cl)c(c1)C(F)(F)F |w:5.5|
Show InChI InChI=1S/C9H8ClF3N4/c10-7-2-1-5(4-16-17-8(14)15)3-6(7)9(11,12)13/h1-4H,(H4,14,15,17)
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n/an/an/an/a>3.16E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50414849
PNG
(CHEMBL572766)
Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1ccc(Cl)c(Cl)c1 |w:2.2|
Show InChI InChI=1S/C9H10Cl2N4/c1-5(14-15-9(12)13)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H4,12,13,15)
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n/an/an/an/a 501n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50414850
PNG
(CHEMBL575058)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6](-c1ccccc1)-c1ccc(Cl)c(Cl)c1 |w:4.3|
Show InChI InChI=1S/C14H12Cl2N4/c15-11-7-6-10(8-12(11)16)13(19-20-14(17)18)9-4-2-1-3-5-9/h1-8H,(H4,17,18,20)
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n/an/an/an/a 794n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50414850
PNG
(CHEMBL575058)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6](-c1ccccc1)-c1ccc(Cl)c(Cl)c1 |w:4.3|
Show InChI InChI=1S/C14H12Cl2N4/c15-11-7-6-10(8-12(11)16)13(19-20-14(17)18)9-4-2-1-3-5-9/h1-8H,(H4,17,18,20)
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n/an/an/an/a 794n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50414851
PNG
(CHEMBL574353)
Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1ccc(Cl)c(c1)C(F)(F)F |w:2.2|
Show InChI InChI=1S/C10H10ClF3N4/c1-5(17-18-9(15)16)6-2-3-8(11)7(4-6)10(12,13)14/h2-4H,1H3,(H4,15,16,18)
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n/an/an/an/a 398n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50414852
PNG
(CHEMBL573738)
Show SMILES [#6]-c1ccccc1-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])o1 |w:11.11|
Show InChI InChI=1S/C13H14N4O/c1-9-4-2-3-5-11(9)12-7-6-10(18-12)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)
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n/an/an/an/a 100n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50414852
PNG
(CHEMBL573738)
Show SMILES [#6]-c1ccccc1-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])o1 |w:11.11|
Show InChI InChI=1S/C13H14N4O/c1-9-4-2-3-5-11(9)12-7-6-10(18-12)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)
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n/an/an/an/a 79.4n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50414853
PNG
(CHEMBL572825)
Show SMILES [#6]-[#6](-[#6])-c1ccccc1-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])o1 |w:13.13|
Show InChI InChI=1S/C15H18N4O/c1-10(2)12-5-3-4-6-13(12)14-8-7-11(20-14)9-18-19-15(16)17/h3-10H,1-2H3,(H4,16,17,19)
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n/an/an/an/a 200n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50414853
PNG
(CHEMBL572825)
Show SMILES [#6]-[#6](-[#6])-c1ccccc1-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])o1 |w:13.13|
Show InChI InChI=1S/C15H18N4O/c1-10(2)12-5-3-4-6-13(12)14-8-7-11(20-14)9-18-19-15(16)17/h3-10H,1-2H3,(H4,16,17,19)
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n/an/an/an/a 158n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50414854
PNG
(CHEMBL574565)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(o1)-c1ccccc1C(F)(F)F |w:5.5|
Show InChI InChI=1S/C13H11F3N4O/c14-13(15,16)10-4-2-1-3-9(10)11-6-5-8(21-11)7-19-20-12(17)18/h1-7H,(H4,17,18,20)
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n/an/an/an/a 100n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50414854
PNG
(CHEMBL574565)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(o1)-c1ccccc1C(F)(F)F |w:5.5|
Show InChI InChI=1S/C13H11F3N4O/c14-13(15,16)10-4-2-1-3-9(10)11-6-5-8(21-11)7-19-20-12(17)18/h1-7H,(H4,17,18,20)
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n/an/an/an/a 39.8n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50414855
PNG
(CHEMBL573518)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(s1)-c1ccccc1C(F)(F)F |w:5.5|
Show InChI InChI=1S/C13H11F3N4S/c14-13(15,16)10-4-2-1-3-9(10)11-6-5-8(21-11)7-19-20-12(17)18/h1-7H,(H4,17,18,20)
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n/an/an/an/a 158n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50414855
PNG
(CHEMBL573518)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(s1)-c1ccccc1C(F)(F)F |w:5.5|
Show InChI InChI=1S/C13H11F3N4S/c14-13(15,16)10-4-2-1-3-9(10)11-6-5-8(21-11)7-19-20-12(17)18/h1-7H,(H4,17,18,20)
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n/an/an/an/a 126n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50414856
PNG
(CHEMBL573519)
Show SMILES [#6]-n1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc1-c1ccccc1C(F)(F)F |w:3.2|
Show InChI InChI=1S/C14H14F3N5/c1-22-9(8-20-21-13(18)19)6-7-12(22)10-4-2-3-5-11(10)14(15,16)17/h2-8H,1H3,(H4,18,19,21)
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n/an/an/an/a 126n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50394978
PNG
(CHEMBL573297)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Br)c(Br)c1 |w:5.5|
Show InChI InChI=1S/C8H8Br2N4/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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n/an/an/an/a 1.26E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair