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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'kelly' and Initial = 'nm'   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435322
PNG
(CHEMBL2391376)
Show SMILES C[C@H]1[C@@H]2C[C@H](C[C@@H]1NC(=O)CN1CCN(CC1)C1CCCCC1)C2(C)C |r|
Show InChI InChI=1S/C22H39N3O/c1-16-19-13-17(22(19,2)3)14-20(16)23-21(26)15-24-9-11-25(12-10-24)18-7-5-4-6-8-18/h16-20H,4-15H2,1-3H3,(H,23,26)/t16-,17+,19-,20-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435311
PNG
(CHEMBL2391351)
Show SMILES CCCCCN(C)C(=O)CN1CCNC2(CCCCC2)C1
Show InChI InChI=1S/C17H33N3O/c1-3-4-8-12-19(2)16(21)14-20-13-11-18-17(15-20)9-6-5-7-10-17/h18H,3-15H2,1-2H3
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n/an/a 210n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435312
PNG
(CHEMBL2391354)
Show SMILES O=C(CN1CCN2CCCCC2C1)NC1CCCCC1
Show InChI InChI=1S/C16H29N3O/c20-16(17-14-6-2-1-3-7-14)13-18-10-11-19-9-5-4-8-15(19)12-18/h14-15H,1-13H2,(H,17,20)
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n/an/a 270n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435314
PNG
(CHEMBL2391352)
Show SMILES O=C(CN1CCN2CCC[C@@H]2C1)NC1CCCCC1 |r|
Show InChI InChI=1S/C15H27N3O/c19-15(16-13-5-2-1-3-6-13)12-17-9-10-18-8-4-7-14(18)11-17/h13-14H,1-12H2,(H,16,19)/t14-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435329
PNG
(CHEMBL2391368)
Show SMILES O=C(CN1CCN(CC1)C1CCCC1)NC1CCCCC1
Show InChI InChI=1S/C17H31N3O/c21-17(18-15-6-2-1-3-7-15)14-19-10-12-20(13-11-19)16-8-4-5-9-16/h15-16H,1-14H2,(H,18,21)
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n/an/a 430n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435316
PNG
(CHEMBL2391382)
Show SMILES CC(C)(N1CCN(CC1)C1CCCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C19H35N3O/c1-19(2,18(23)20-16-8-4-3-5-9-16)22-14-12-21(13-15-22)17-10-6-7-11-17/h16-17H,3-15H2,1-2H3,(H,20,23)
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n/an/a 500n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435340
PNG
(CHEMBL2391358)
Show SMILES CCC(N1CCN(CC1)C1CCCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C19H35N3O/c1-2-18(19(23)20-16-8-4-3-5-9-16)22-14-12-21(13-15-22)17-10-6-7-11-17/h16-18H,2-15H2,1H3,(H,20,23)
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n/an/a 590n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435319
PNG
(CHEMBL2391379)
Show SMILES CN1CCCN(CC(=O)NCCCC2CCCC2)CC1
Show InChI InChI=1S/C16H31N3O/c1-18-10-5-11-19(13-12-18)14-16(20)17-9-4-8-15-6-2-3-7-15/h15H,2-14H2,1H3,(H,17,20)
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n/an/a 930n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435339
PNG
(CHEMBL2391359)
Show SMILES CCN1CCN(CC(=O)N(C)C2CCCC2)CC1C
Show InChI InChI=1S/C15H29N3O/c1-4-18-10-9-17(11-13(18)2)12-15(19)16(3)14-7-5-6-8-14/h13-14H,4-12H2,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435313
PNG
(CHEMBL2391353)
Show SMILES O=C(CN1CCN2CCC[C@H]2C1)NC1CCCCC1 |r|
Show InChI InChI=1S/C15H27N3O/c19-15(16-13-5-2-1-3-6-13)12-17-9-10-18-8-4-7-14(18)11-17/h13-14H,1-12H2,(H,16,19)/t14-/m0/s1
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n/an/a 2.25E+3n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435341
PNG
(CHEMBL2391357)
Show SMILES CN1CCCN(CC(=O)NC2CCCCC2)CC1
Show InChI InChI=1S/C14H27N3O/c1-16-8-5-9-17(11-10-16)12-14(18)15-13-6-3-2-4-7-13/h13H,2-12H2,1H3,(H,15,18)
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n/an/a 3.25E+3n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435328
PNG
(CHEMBL2391369)
Show SMILES CC(N1CCNCC1)C(=O)NCCC1CCCCCCC1
Show InChI InChI=1S/C17H33N3O/c1-15(20-13-11-18-12-14-20)17(21)19-10-9-16-7-5-3-2-4-6-8-16/h15-16,18H,2-14H2,1H3,(H,19,21)
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n/an/a 7.24E+3n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435336
PNG
(CHEMBL2391362)
Show SMILES CCCCN(CCC)C(=O)CN1C[C@H](C)NC[C@H]1C |r|
Show InChI InChI=1S/C15H31N3O/c1-5-7-9-17(8-6-2)15(19)12-18-11-13(3)16-10-14(18)4/h13-14,16H,5-12H2,1-4H3/t13-,14+/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435324
PNG
(CHEMBL2391374)
Show SMILES CC(C)NC(=O)C(C)(C)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C17H33N3O/c1-14(2)18-16(21)17(3,4)20-12-10-19(11-13-20)15-8-6-5-7-9-15/h14-15H,5-13H2,1-4H3,(H,18,21)
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n/an/a 8.41E+3n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435335
PNG
(CHEMBL2391363)
Show SMILES O=C(CCN1CCN(CC1)C(=O)C1CC1)NC1CCCCC1
Show InChI InChI=1S/C17H29N3O2/c21-16(18-15-4-2-1-3-5-15)8-9-19-10-12-20(13-11-19)17(22)14-6-7-14/h14-15H,1-13H2,(H,18,21)
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n/an/a 8.83E+3n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435333
PNG
(CHEMBL2391365)
Show SMILES CCCCC(N1CCNCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C16H31N3O/c1-2-3-9-15(19-12-10-17-11-13-19)16(20)18-14-7-5-4-6-8-14/h14-15,17H,2-13H2,1H3,(H,18,20)
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n/an/a 1.15E+4n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435315
PNG
(CHEMBL2391539)
Show SMILES CC(N1CCN(CC1)C(=O)C1CCCCC1)C(=O)NCCC1CCCCCCC1
Show InChI InChI=1S/C24H43N3O2/c1-20(23(28)25-15-14-21-10-6-3-2-4-7-11-21)26-16-18-27(19-17-26)24(29)22-12-8-5-9-13-22/h20-22H,2-19H2,1H3,(H,25,28)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435320
PNG
(CHEMBL2391378)
Show SMILES CC(C)N1CCCN(CC(=O)N[C@H](C)C(C)(C)C)CC1 |r|
Show InChI InChI=1S/C16H33N3O/c1-13(2)19-9-7-8-18(10-11-19)12-15(20)17-14(3)16(4,5)6/h13-14H,7-12H2,1-6H3,(H,17,20)/t14-/m1/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435318
PNG
(CHEMBL2391380)
Show SMILES CCCCCN(C)C(=O)CN1CCCNCC1
Show InChI InChI=1S/C13H27N3O/c1-3-4-5-9-15(2)13(17)12-16-10-6-7-14-8-11-16/h14H,3-12H2,1-2H3
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n/an/a 1.52E+4n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435337
PNG
(CHEMBL2391361)
Show SMILES CCC(CC)NC(=O)CN1CCCN(C)CC1
Show InChI InChI=1S/C13H27N3O/c1-4-12(5-2)14-13(17)11-16-8-6-7-15(3)9-10-16/h12H,4-11H2,1-3H3,(H,14,17)
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n/an/a 1.52E+4n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435325
PNG
(CHEMBL2391373)
Show SMILES C[C@H]1[C@@H]2C[C@H](C[C@@H]1NC(=O)CN1CCNCC1)C2(C)C |r|
Show InChI InChI=1S/C16H29N3O/c1-11-13-8-12(16(13,2)3)9-14(11)18-15(20)10-19-6-4-17-5-7-19/h11-14,17H,4-10H2,1-3H3,(H,18,20)/t11-,12+,13-,14-/m0/s1
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n/an/a 1.58E+4n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435334
PNG
(CHEMBL2391364)
Show SMILES CCCCN(CCC)C(=O)CN1CCNCC1
Show InChI InChI=1S/C13H27N3O/c1-3-5-9-16(8-4-2)13(17)12-15-10-6-14-7-11-15/h14H,3-12H2,1-2H3
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n/an/a 1.63E+4n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435317
PNG
(CHEMBL2391381)
Show SMILES CC(=O)N1CCCN(CCC(=O)NC2CCCCCC2)CC1
Show InChI InChI=1S/C17H31N3O2/c1-15(21)20-11-6-10-19(13-14-20)12-9-17(22)18-16-7-4-2-3-5-8-16/h16H,2-14H2,1H3,(H,18,22)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435327
PNG
(CHEMBL2391371)
Show SMILES CC(C)(C)CCNC(=O)CN1CCNCC1
Show InChI InChI=1S/C12H25N3O/c1-12(2,3)4-5-14-11(16)10-15-8-6-13-7-9-15/h13H,4-10H2,1-3H3,(H,14,16)
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n/an/a 1.88E+4n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435323
PNG
(CHEMBL2391375)
Show SMILES CC(C)(C)CCNC(=O)CN1CCN(CC1)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H35N3O2/c1-19(2,3)9-10-20-17(23)15-21-11-13-22(14-12-21)18(24)16-7-5-4-6-8-16/h16H,4-15H2,1-3H3,(H,20,23)
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n/an/a 2.11E+4n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435343
PNG
(ESAPRAZOLE)
Show SMILES O=C(CN1CCNCC1)NC1CCCCC1
Show InChI InChI=1S/C12H23N3O/c16-12(10-15-8-6-13-7-9-15)14-11-4-2-1-3-5-11/h11,13H,1-10H2,(H,14,16)
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n/an/a 2.72E+4n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435326
PNG
(CHEMBL2391372)
Show SMILES O=C(CN1CCNCC1)N[C@H]1C[C@@H]2CC[C@H]1C2 |r|
Show InChI InChI=1S/C13H23N3O/c17-13(9-16-5-3-14-4-6-16)15-12-8-10-1-2-11(12)7-10/h10-12,14H,1-9H2,(H,15,17)/t10-,11+,12+/m1/s1
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n/an/a 8.68E+4n/an/an/an/an/an/a



Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435342
PNG
(CHEMBL2391356)
Show SMILES CC(C)NC(=O)CN1CCNCC1
Show InChI InChI=1S/C9H19N3O/c1-8(2)11-9(13)7-12-5-3-10-4-6-12/h8,10H,3-7H2,1-2H3,(H,11,13)
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Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435332
PNG
(CHEMBL2391366)
Show SMILES CCC(CC)NC(=O)CN1CCN(CC1)C(=O)CC
Show InChI InChI=1S/C14H27N3O2/c1-4-12(5-2)15-13(18)11-16-7-9-17(10-8-16)14(19)6-3/h12H,4-11H2,1-3H3,(H,15,18)
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Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435331
PNG
(CHEMBL2391367)
Show SMILES CCC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1
Show InChI InChI=1S/C15H27N3O2/c1-2-15(20)18-10-8-17(9-11-18)12-14(19)16-13-6-4-3-5-7-13/h13H,2-12H2,1H3,(H,16,19)
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Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435330
PNG
(CHEMBL2391540)
Show SMILES CN(C1CCCC1)C(=O)CN1CCNCC1
Show InChI InChI=1S/C12H23N3O/c1-14(11-4-2-3-5-11)12(16)10-15-8-6-13-7-9-15/h11,13H,2-10H2,1H3
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Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435321
PNG
(CHEMBL2391377)
Show SMILES CCC(=O)N1CCN(CC1)C(C)C(=O)NC1CCCC1
Show InChI InChI=1S/C15H27N3O2/c1-3-14(19)18-10-8-17(9-11-18)12(2)15(20)16-13-6-4-5-7-13/h12-13H,3-11H2,1-2H3,(H,16,20)
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Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50435338
PNG
(CHEMBL2391360)
Show SMILES CCC(C)CNC(=O)CN1CCN(CC1)C(=O)CC
Show InChI InChI=1S/C14H27N3O2/c1-4-12(3)10-15-13(18)11-16-6-8-17(9-7-16)14(19)5-2/h12H,4-11H2,1-3H3,(H,15,18)
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Nensius Research A/S

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay


Bioorg Med Chem 21: 3334-47 (2013)


Article DOI: 10.1016/j.bmc.2013.02.058
BindingDB Entry DOI: 10.7270/Q280540N
More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X2


(Homo sapiens (Human))
BDBM50413340
PNG
(CHEMBL505715)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C81H113N19O19S2/c1-46(103)67-80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(79(116)90-56(81(118)119)30-15-18-34-84)45-121-120-44-64(98-68(105)53-31-19-35-86-53)78(115)89-54(28-13-16-32-82)69(106)94-61(40-66(85)104)75(112)92-57(36-47-20-5-2-6-21-47)71(108)91-58(37-48-22-7-3-8-23-48)72(109)93-60(39-50-41-87-52-27-12-11-26-51(50)52)74(111)88-55(70(107)100-67)29-14-17-33-83/h2-12,20-27,41,46,53-65,67,86-87,101-103H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55-,56+,57+,58+,59-,60?,61+,62?,63+,64+,65+,67?/m1/s1
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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 MrgX2 receptor


Bioorg Med Chem Lett 19: 1729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.085
BindingDB Entry DOI: 10.7270/Q29S1S8T
More data for this
Ligand-Target Pair
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 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
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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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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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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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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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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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)
UniProtKB/SwissProt

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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
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