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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'vyas' and Initial = 'n'   
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))
BDBM50029138
PNG
(CHEMBL3360830)
Show SMILES CC(C)C[C@@H](N(C)C(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C55H78N14O11/c1-32(2)28-44(68(3)53(79)37(56)29-35-18-20-36(70)21-19-35)52(78)67-42(31-34-14-8-5-9-15-34)50(76)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)49(75)63-38(16-10-26-62-55(60)61)48(74)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,75)(H,64,77)(H,65,76)(H,66,74)(H,67,78)(H4,60,61,62)/t37-,38+,39+,40+,41+,42+,43+,44-/m1/s1
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0.470n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029138
PNG
(CHEMBL3360830)
Show SMILES CC(C)C[C@@H](N(C)C(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C55H78N14O11/c1-32(2)28-44(68(3)53(79)37(56)29-35-18-20-36(70)21-19-35)52(78)67-42(31-34-14-8-5-9-15-34)50(76)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)49(75)63-38(16-10-26-62-55(60)61)48(74)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,75)(H,64,77)(H,65,76)(H,66,74)(H,67,78)(H4,60,61,62)/t37-,38+,39+,40+,41+,42+,43+,44-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50029183
PNG
(CHEMBL3360832)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1 |r|
Show InChI InChI=1S/C25H37N7O/c26-22(12-7-15-29-24(27)28)23(33)30-19-25(31-21-10-5-2-6-11-21)13-16-32(17-14-25)18-20-8-3-1-4-9-20/h1-6,8-11,22,31H,7,12-19,26H2,(H,30,33)(H4,27,28,29)/t22-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 60 mins by scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029188
PNG
(CHEMBL2165920)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C45H72N14O10/c1-24(2)21-31(57-40(65)30(23-35(47)61)56-42(67)33-15-10-20-59(33)44(69)36(48)25(3)4)43(68)58-19-9-14-32(58)41(66)54-28(16-17-34(46)60)39(64)53-27(13-8-18-52-45(50)51)38(63)55-29(37(49)62)22-26-11-6-5-7-12-26/h5-7,11-12,24-25,27-33,36H,8-10,13-23,48H2,1-4H3,(H2,46,60)(H2,47,61)(H2,49,62)(H,53,64)(H,54,66)(H,55,63)(H,56,67)(H,57,65)(H4,50,51,52)/t27-,28-,29-,30-,31-,32-,33-,36-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029138
PNG
(CHEMBL3360830)
Show SMILES CC(C)C[C@@H](N(C)C(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C55H78N14O11/c1-32(2)28-44(68(3)53(79)37(56)29-35-18-20-36(70)21-19-35)52(78)67-42(31-34-14-8-5-9-15-34)50(76)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)49(75)63-38(16-10-26-62-55(60)61)48(74)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,75)(H,64,77)(H,65,76)(H,66,74)(H,67,78)(H4,60,61,62)/t37-,38+,39+,40+,41+,42+,43+,44-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029138
PNG
(CHEMBL3360830)
Show SMILES CC(C)C[C@@H](N(C)C(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C55H78N14O11/c1-32(2)28-44(68(3)53(79)37(56)29-35-18-20-36(70)21-19-35)52(78)67-42(31-34-14-8-5-9-15-34)50(76)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)49(75)63-38(16-10-26-62-55(60)61)48(74)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,75)(H,64,77)(H,65,76)(H,66,74)(H,67,78)(H4,60,61,62)/t37-,38+,39+,40+,41+,42+,43+,44-/m1/s1
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4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]YVP from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50029183
PNG
(CHEMBL3360832)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1 |r|
Show InChI InChI=1S/C25H37N7O/c26-22(12-7-15-29-24(27)28)23(33)30-19-25(31-21-10-5-2-6-11-21)13-16-32(17-14-25)18-20-8-3-1-4-9-20/h1-6,8-11,22,31H,7,12-19,26H2,(H,30,33)(H4,27,28,29)/t22-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human KOR expressed in HEK293 cells after 60 mins by scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029097
PNG
(CHEMBL3361433)
Show SMILES NC(=N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H33N5O/c28-26(29)30-18-25(33)31-20-27(17-23-11-6-10-22-9-4-5-12-24(22)23)13-15-32(16-14-27)19-21-7-2-1-3-8-21/h1-12H,13-20H2,(H,31,33)(H4,28,29,30)
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30n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50029183
PNG
(CHEMBL3360832)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1 |r|
Show InChI InChI=1S/C25H37N7O/c26-22(12-7-15-29-24(27)28)23(33)30-19-25(31-21-10-5-2-6-11-21)13-16-32(17-14-25)18-20-8-3-1-4-9-20/h1-6,8-11,22,31H,7,12-19,26H2,(H,30,33)(H4,27,28,29)/t22-/m0/s1
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37n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in HEK293 cells after 60 mins by scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029111
PNG
(CHEMBL3360829)
Show SMILES CC(=N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C27H39N5O3/c1-17(28)30-9-5-8-22(25(34)31-23(24(29)33)13-18-6-3-2-4-7-18)32-26(35)27-14-19-10-20(15-27)12-21(11-19)16-27/h2-4,6-7,19-23H,5,8-16H2,1H3,(H2,28,30)(H2,29,33)(H,31,34)(H,32,35)/t19?,20?,21?,22-,23-,27?/m0/s1
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58n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Antagonist activity at human NPFF1 receptor expressed in CHO cells


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029111
PNG
(CHEMBL3360829)
Show SMILES CC(=N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C27H39N5O3/c1-17(28)30-9-5-8-22(25(34)31-23(24(29)33)13-18-6-3-2-4-7-18)32-26(35)27-14-19-10-20(15-27)12-21(11-19)16-27/h2-4,6-7,19-23H,5,8-16H2,1H3,(H2,28,30)(H2,29,33)(H,31,34)(H,32,35)/t19?,20?,21?,22-,23-,27?/m0/s1
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75n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Antagonist activity at human NPFF2 receptor expressed in African green monkey COS-1 cells


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029096
PNG
(CHEMBL3361425)
Show SMILES NC(=N)NCCNC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)
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81n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029132
PNG
(CHEMBL3361434)
Show SMILES NC(=N)NCC(=O)NCC1(Cc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H29Cl2N5O/c24-19-7-6-18(12-20(19)25)13-23(16-29-21(31)14-28-22(26)27)8-10-30(11-9-23)15-17-4-2-1-3-5-17/h1-7,12H,8-11,13-16H2,(H,29,31)(H4,26,27,28)
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82n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029110
PNG
(CHEMBL3361423)
Show SMILES NC(=N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H31N5O/c24-22(25)26-16-21(29)27-18-23(15-19-7-3-1-4-8-19)11-13-28(14-12-23)17-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,27,29)(H4,24,25,26)
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84n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029098
PNG
(CHEMBL3361418)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1cccc2ccccc12
Show InChI InChI=1S/C26H32N6O/c27-25(28)29-17-24(33)30-19-26(31-23-12-6-10-21-9-4-5-11-22(21)23)13-15-32(16-14-26)18-20-7-2-1-3-8-20/h1-12,31H,13-19H2,(H,30,33)(H4,27,28,29)
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94n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029097
PNG
(CHEMBL3361433)
Show SMILES NC(=N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H33N5O/c28-26(29)30-18-25(33)31-20-27(17-23-11-6-10-22-9-4-5-12-24(22)23)13-15-32(16-14-27)19-21-7-2-1-3-8-21/h1-12H,13-20H2,(H,31,33)(H4,28,29,30)
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112n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029128
PNG
(CHEMBL3361431)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(Cc2ccc(Br)cc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C22H29BrN6O/c23-18-8-6-17(7-9-18)15-29-12-10-22(11-13-29,28-19-4-2-1-3-5-19)16-27-20(30)14-26-21(24)25/h1-9,28H,10-16H2,(H,27,30)(H4,24,25,26)
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112n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029109
PNG
(CHEMBL3361419)
Show SMILES COc1cc(NC2(CNC(=O)CNC(N)=N)CCN(Cc3ccccc3)CC2)cc(OC)c1
Show InChI InChI=1S/C24H34N6O3/c1-32-20-12-19(13-21(14-20)33-2)29-24(17-28-22(31)15-27-23(25)26)8-10-30(11-9-24)16-18-6-4-3-5-7-18/h3-7,12-14,29H,8-11,15-17H2,1-2H3,(H,28,31)(H4,25,26,27)
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114n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029126
PNG
(CHEMBL3361429)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(Cc2cccc3ccccc23)CC1)Nc1ccccc1
Show InChI InChI=1S/C26H32N6O/c27-25(28)29-17-24(33)30-19-26(31-22-10-2-1-3-11-22)13-15-32(16-14-26)18-21-9-6-8-20-7-4-5-12-23(20)21/h1-12,31H,13-19H2,(H,30,33)(H4,27,28,29)
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129n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029127
PNG
(CHEMBL3361430)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(Cc2ccc3ccccc3c2)CC1)Nc1ccccc1
Show InChI InChI=1S/C26H32N6O/c27-25(28)29-17-24(33)30-19-26(31-23-8-2-1-3-9-23)12-14-32(15-13-26)18-20-10-11-21-6-4-5-7-22(21)16-20/h1-11,16,31H,12-15,17-19H2,(H,30,33)(H4,27,28,29)
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141n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029122
PNG
(CHEMBL3361424)
Show SMILES NC(=N)NCC(=O)NCC1(CCc2ccccc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H33N5O/c25-23(26)27-17-22(30)28-19-24(12-11-20-7-3-1-4-8-20)13-15-29(16-14-24)18-21-9-5-2-6-10-21/h1-10H,11-19H2,(H,28,30)(H4,25,26,27)
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151n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029120
PNG
(CHEMBL3361421)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H28Cl2N6O/c23-18-7-6-17(12-19(18)24)29-22(15-28-20(31)13-27-21(25)26)8-10-30(11-9-22)14-16-4-2-1-3-5-16/h1-7,12,29H,8-11,13-15H2,(H,28,31)(H4,25,26,27)
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191n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50029096
PNG
(CHEMBL3361425)
Show SMILES NC(=N)NCCNC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)
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201n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 60 mins by scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029119
PNG
(CHEMBL3361420)
Show SMILES COc1cccc(NC2(CNC(=O)CNC(N)=N)CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H32N6O2/c1-31-20-9-5-8-19(14-20)28-23(17-27-21(30)15-26-22(24)25)10-12-29(13-11-23)16-18-6-3-2-4-7-18/h2-9,14,28H,10-13,15-17H2,1H3,(H,27,30)(H4,24,25,26)
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201n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029135
PNG
(CHEMBL3361435)
Show SMILES NC(=N)NCC(=O)NCC1(Cc2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H33N5O/c28-26(29)30-18-25(33)31-20-27(17-22-10-11-23-8-4-5-9-24(23)16-22)12-14-32(15-13-27)19-21-6-2-1-3-7-21/h1-11,16H,12-15,17-20H2,(H,31,33)(H4,28,29,30)
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205n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50029096
PNG
(CHEMBL3361425)
Show SMILES NC(=N)NCCNC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)
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224n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human KOR expressed in HEK293 cells after 60 mins by scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029137
PNG
(CHEMBL3361436)
Show SMILES NC(=N)NCC(=O)NCC1(Cc2ccc(cc2)-c2ccccc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H35N5O/c30-28(31)32-20-27(35)33-22-29(15-17-34(18-16-29)21-24-7-3-1-4-8-24)19-23-11-13-26(14-12-23)25-9-5-2-6-10-25/h1-14H,15-22H2,(H,33,35)(H4,30,31,32)
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296n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029124
PNG
(CHEMBL3361427)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(CC2CCCCC2)CC1)Nc1ccccc1
Show InChI InChI=1S/C22H36N6O/c23-21(24)25-15-20(29)26-17-22(27-19-9-5-2-6-10-19)11-13-28(14-12-22)16-18-7-3-1-4-8-18/h2,5-6,9-10,18,27H,1,3-4,7-8,11-17H2,(H,26,29)(H4,23,24,25)
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298n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029185
PNG
(CHEMBL3360834)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC1(CCN(Cc2ccc3ccccc3c2)CC1)Nc1ccccc1 |r|
Show InChI InChI=1S/C29H39N7O/c30-26(11-6-16-33-28(31)32)27(37)34-21-29(35-25-9-2-1-3-10-25)14-17-36(18-15-29)20-22-12-13-23-7-4-5-8-24(23)19-22/h1-5,7-10,12-13,19,26,35H,6,11,14-18,20-21,30H2,(H,34,37)(H4,31,32,33)/t26-/m0/s1
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304n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029098
PNG
(CHEMBL3361418)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1cccc2ccccc12
Show InChI InChI=1S/C26H32N6O/c27-25(28)29-17-24(33)30-19-26(31-23-12-6-10-21-9-4-5-11-22(21)23)13-15-32(16-14-26)18-20-7-2-1-3-8-20/h1-12,31H,13-19H2,(H,30,33)(H4,27,28,29)
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309n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029135
PNG
(CHEMBL3361435)
Show SMILES NC(=N)NCC(=O)NCC1(Cc2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H33N5O/c28-26(29)30-18-25(33)31-20-27(17-22-10-11-23-8-4-5-9-24(23)16-22)12-14-32(15-13-27)19-21-6-2-1-3-7-21/h1-11,16H,12-15,17-20H2,(H,31,33)(H4,28,29,30)
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316n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029336
PNG
(CHEMBL3361416)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C22H30N6O/c23-21(24)25-15-20(29)26-17-22(27-19-9-5-2-6-10-19)11-13-28(14-12-22)16-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,26,29)(H4,23,24,25)
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319n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029125
PNG
(CHEMBL3361428)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(CCc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C23H32N6O/c24-22(25)26-17-21(30)27-18-23(28-20-9-5-2-6-10-20)12-15-29(16-13-23)14-11-19-7-3-1-4-8-19/h1-10,28H,11-18H2,(H,27,30)(H4,24,25,26)
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330n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029131
PNG
(CHEMBL3361432)
Show SMILES COC(=O)c1ccc(CN2CCC(CNC(=O)CNC(N)=N)(CC2)Nc2ccccc2)cc1
Show InChI InChI=1S/C24H32N6O3/c1-33-22(32)19-9-7-18(8-10-19)16-30-13-11-24(12-14-30,29-20-5-3-2-4-6-20)17-28-21(31)15-27-23(25)26/h2-10,29H,11-17H2,1H3,(H,28,31)(H4,25,26,27)
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340n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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354n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 60 mins by scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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362n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human KOR expressed in HEK293 cells after 60 mins by scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029336
PNG
(CHEMBL3361416)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C22H30N6O/c23-21(24)25-15-20(29)26-17-22(27-19-9-5-2-6-10-19)11-13-28(14-12-22)16-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,26,29)(H4,23,24,25)
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405n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029120
PNG
(CHEMBL3361421)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H28Cl2N6O/c23-18-7-6-17(12-19(18)24)29-22(15-28-20(31)13-27-21(25)26)8-10-30(11-9-22)14-16-4-2-1-3-5-16/h1-7,12,29H,8-11,13-15H2,(H,28,31)(H4,25,26,27)
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409n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029110
PNG
(CHEMBL3361423)
Show SMILES NC(=N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H31N5O/c24-22(25)26-16-21(29)27-18-23(15-19-7-3-1-4-8-19)11-13-28(14-12-23)17-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,27,29)(H4,24,25,26)
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417n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029132
PNG
(CHEMBL3361434)
Show SMILES NC(=N)NCC(=O)NCC1(Cc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H29Cl2N5O/c24-19-7-6-18(12-20(19)25)13-23(16-29-21(31)14-28-22(26)27)8-10-30(11-9-23)15-17-4-2-1-3-5-17/h1-7,12H,8-11,13-16H2,(H,29,31)(H4,26,27,28)
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432n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029189
PNG
(CHEMBL3361410)
Show SMILES NC(=N)NCCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C23H32N6O/c24-22(25)26-14-11-21(30)27-18-23(28-20-9-5-2-6-10-20)12-15-29(16-13-23)17-19-7-3-1-4-8-19/h1-10,28H,11-18H2,(H,27,30)(H4,24,25,26)
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441n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029128
PNG
(CHEMBL3361431)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(Cc2ccc(Br)cc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C22H29BrN6O/c23-18-8-6-17(7-9-18)15-29-12-10-22(11-13-29,28-19-4-2-1-3-5-19)16-27-20(30)14-26-21(24)25/h1-9,28H,10-16H2,(H,27,30)(H4,24,25,26)
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454n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029122
PNG
(CHEMBL3361424)
Show SMILES NC(=N)NCC(=O)NCC1(CCc2ccccc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H33N5O/c25-23(26)27-17-22(30)28-19-24(12-11-20-7-3-1-4-8-20)13-15-29(16-14-24)18-21-9-5-2-6-10-21/h1-10H,11-19H2,(H,28,30)(H4,25,26,27)
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465n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029185
PNG
(CHEMBL3360834)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC1(CCN(Cc2ccc3ccccc3c2)CC1)Nc1ccccc1 |r|
Show InChI InChI=1S/C29H39N7O/c30-26(11-6-16-33-28(31)32)27(37)34-21-29(35-25-9-2-1-3-10-25)14-17-36(18-15-29)20-22-12-13-23-7-4-5-8-24(23)19-22/h1-5,7-10,12-13,19,26,35H,6,11,14-18,20-21,30H2,(H,34,37)(H4,31,32,33)/t26-/m0/s1
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479n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]YVP from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029183
PNG
(CHEMBL3360832)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1 |r|
Show InChI InChI=1S/C25H37N7O/c26-22(12-7-15-29-24(27)28)23(33)30-19-25(31-21-10-5-2-6-11-21)13-16-32(17-14-25)18-20-8-3-1-4-9-20/h1-6,8-11,22,31H,7,12-19,26H2,(H,30,33)(H4,27,28,29)/t22-/m0/s1
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487n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]YVP from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50029127
PNG
(CHEMBL3361430)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(Cc2ccc3ccccc3c2)CC1)Nc1ccccc1
Show InChI InChI=1S/C26H32N6O/c27-25(28)29-17-24(33)30-19-26(31-23-8-2-1-3-9-23)12-14-32(15-13-26)18-20-10-11-21-6-4-5-7-22(21)16-20/h1-11,16,31H,12-15,17-19H2,(H,30,33)(H4,27,28,29)
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504n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029121
PNG
(CHEMBL3361422)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H29N5O/c23-21(24)25-15-20(28)26-17-22(19-9-5-2-6-10-19)11-13-27(14-12-22)16-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,26,28)(H4,23,24,25)
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511n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029126
PNG
(CHEMBL3361429)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(Cc2cccc3ccccc23)CC1)Nc1ccccc1
Show InChI InChI=1S/C26H32N6O/c27-25(28)29-17-24(33)30-19-26(31-22-10-2-1-3-11-22)13-15-32(16-14-26)18-21-9-6-8-20-7-4-5-12-23(20)21/h1-12,31H,13-19H2,(H,30,33)(H4,27,28,29)
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538n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50029109
PNG
(CHEMBL3361419)
Show SMILES COc1cc(NC2(CNC(=O)CNC(N)=N)CCN(Cc3ccccc3)CC2)cc(OC)c1
Show InChI InChI=1S/C24H34N6O3/c1-32-20-12-19(13-21(14-20)33-2)29-24(17-28-22(31)15-27-23(25)26)8-10-30(11-9-24)16-18-6-4-3-5-7-18/h3-7,12-14,29H,8-11,15-17H2,1-2H3,(H,28,31)(H4,25,26,27)
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688n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 60 mins by scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50029098
PNG
(CHEMBL3361418)
Show SMILES NC(=N)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1cccc2ccccc12
Show InChI InChI=1S/C26H32N6O/c27-25(28)29-17-24(33)30-19-26(31-23-12-6-10-21-9-4-5-11-22(21)23)13-15-32(16-14-26)18-20-7-2-1-3-8-20/h1-12,31H,13-19H2,(H,30,33)(H4,27,28,29)
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705n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human KOR expressed in HEK293 cells after 60 mins by scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
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