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Compile Data Set for Download or QSAR

Found 21 hits of ec50 data for polymerid = 50006030   
Target
(Institution)
LigandTarget
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)
BDBM86143
PNG
(L-Val-L-Pro-L-Asn-L-Leu-L-Pro-L-Gln-L-Arg-L-Phe-NH...)
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](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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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n/an/an/an/a 1.70n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
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
Show InChI InChI=1/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-/s2
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n/an/an/an/a 2.70n/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50414852
PNG
(CHEMBL573738)
Show SMILES Cc1ccccc1-c1ccc(C=NN=C(N)N)o1
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


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50414854
PNG
(CHEMBL574565)
Show SMILES NC(N)=NN=Cc1ccc(o1)-c1ccccc1C(F)(F)F
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


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50414856
PNG
(CHEMBL573519)
Show SMILES Cn1c(C=NN=C(N)N)ccc1-c1ccccc1C(F)(F)F
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


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50414855
PNG
(CHEMBL573518)
Show SMILES NC(N)=NN=Cc1ccc(s1)-c1ccccc1C(F)(F)F
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


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50414853
PNG
(CHEMBL572825)
Show SMILES CC(C)c1ccccc1-c1ccc(C=NN=C(N)N)o1
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


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50060728
PNG
((R)-2-(2,2-diphenylacetamido)-5-guanidino-N-(4-hyd...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
Show InChI InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1
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n/an/an/an/a 233n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50394976
PNG
(CHEMBL2165922)
Show SMILES NC(N)=NN=CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C12H20N4/c13-11(14)16-15-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h7-10H,1-6H2,(H4,13,14,16)
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n/an/an/an/a 298n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50336912
PNG
(Adamantane-1-carboxylic acid [(S)-1-((S)-1-carbamo...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C26H38N6O3/c27-22(33)21(12-16-5-2-1-3-6-16)31-23(34)20(7-4-8-30-25(28)29)32-24(35)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-3,5-6,17-21H,4,7-15H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)/t17?,18?,19?,20-,21-,26?/m0/s1
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n/an/an/an/a 379n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50414851
PNG
(CHEMBL574353)
Show SMILES CC(=NN=C(N)N)c1ccc(Cl)c(c1)C(F)(F)F
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


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50394977
PNG
(CHEMBL583068)
Show SMILES NC(N)=NN=Cc1ccc(Cl)c(c1)C(F)(F)F
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


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50414849
PNG
(CHEMBL572766)
Show SMILES CC(=NN=C(N)N)c1ccc(Cl)c(Cl)c1
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


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
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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n/an/an/an/a 645n/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Antagonist activity at human NPFF2 receptor expressed in CHO cells assessed as reversal of 1DMe-induced inhibition of intracellular cAMP accumulation...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50414850
PNG
(CHEMBL575058)
Show SMILES NC(N)=NN=C(c1ccccc1)c1ccc(Cl)c(Cl)c1
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


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50414848
PNG
(CHEMBL572531)
Show SMILES NC(N)=NN=Cc1ccc(Cl)c(Cl)c1
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


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
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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n/an/an/an/a>1.00E+3n/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced intracellular cAMP accumulation by liquid...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50394977
PNG
(CHEMBL583068)
Show SMILES NC(N)=NN=Cc1ccc(Cl)c(c1)C(F)(F)F
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 1.19E+3n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50394978
PNG
(CHEMBL573297)
Show SMILES NC(N)=NN=Cc1ccc(Br)c(Br)c1
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


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50394975
PNG
(CHEMBL2165921)
Show SMILES NC(=N)NN=Cc1ccc(o1)-c1ccc(Br)cc1C(F)(F)F
Show InChI InChI=1S/C13H10BrF3N4O/c14-7-1-3-9(10(5-7)13(15,16)17)11-4-2-8(22-11)6-20-21-12(18)19/h1-6H,(H4,18,19,21)
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n/an/an/an/a 1.66E+3n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation ...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens)
BDBM50394978
PNG
(CHEMBL573297)
Show SMILES NC(N)=NN=Cc1ccc(Br)c(Br)c1
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 2.20E+3n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation ...


Citation and Details
More data for this
Ligand-Target Pair