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Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'findeisen' and Initial = 'm'   
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))
BDBM86143
PNG
(L-Val-L-Pro-L-Asn-L-Leu-L-Pro-L-Gln-L-Arg-L-Phe-NH...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=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 ...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM86143
PNG
(L-Val-L-Pro-L-Asn-L-Leu-L-Pro-L-Gln-L-Arg-L-Phe-NH...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=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 NPFF1 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation ...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50336912
PNG
(Adamantane-1-carboxylic acid [(S)-1-((S)-1-carbamo...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,TLB:9:11:14:18.17.16,9:11:18:14.15.16,20:11:18:14.15.16,THB:20:15:18:12.11.19,19:11:14:18.17.16,19:17:14:12.11.20|
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 ...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50060728
PNG
((R)-2-(2,2-diphenylacetamido)-5-guanidino-N-(4-hyd...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
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 ...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50394975
PNG
(CHEMBL2165921)
Show SMILES NC(=N)NN=Cc1ccc(o1)-c1ccc(Br)cc1C(F)(F)F |w:5.5|
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 ...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50394976
PNG
(CHEMBL2165922)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#7]=[#6]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2 |w:5.5,TLB:9:10:14:7.8.13,THB:9:8:14:15.11.10,11:12:7:9.15.10,11:10:7:12.14.13|
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 ...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50336912
PNG
(Adamantane-1-carboxylic acid [(S)-1-((S)-1-carbamo...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,TLB:9:11:14:18.17.16,9:11:18:14.15.16,20:11:18:14.15.16,THB:20:15:18:12.11.19,19:11:14:18.17.16,19:17:14:12.11.20|
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 71n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation ...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
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 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 ...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50394976
PNG
(CHEMBL2165922)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#7]=[#6]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2 |w:5.5,TLB:9:10:14:7.8.13,THB:9:8:14:15.11.10,11:12:7:9.15.10,11:10:7:12.14.13|
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/a 41.7n/an/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Competitive antagonist activity at human NPFF1 receptor expressed in COS1 cells assessed as inhibition of NPVF-induced [3H]inositol phosphate accumul...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50060728
PNG
((R)-2-(2,2-diphenylacetamido)-5-guanidino-N-(4-hyd...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
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/a 20.9n/an/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Competitive antagonist activity at human NPFF1 receptor expressed in COS1 cells assessed as inhibition of NPVF-induced [3H]inositol phosphate accumul...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(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 527n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation ...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
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 2.37E+3n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation ...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50394975
PNG
(CHEMBL2165921)
Show SMILES NC(=N)NN=Cc1ccc(o1)-c1ccc(Br)cc1C(F)(F)F |w:5.5|
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 5.62E+3n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation ...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
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 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 ...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
More data for this
Ligand-Target Pair