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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 619.7
BDBM50542862

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 12 hits in this display   
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 Y receptor type 4


(Homo sapiens (Human))
BDBM50542862
PNG
(CHEMBL4642345)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H49N11O5/c1-16(2)14-22(39-24(42)19(34-3)6-4-12-35-27(30)31)26(44)37-20(7-5-13-36-28(32)33)25(43)38-21(23(29)41)15-17-8-10-18(40)11-9-17/h8-11,16,19-22,34,40H,4-7,12-15H2,1-3H3,(H2,29,41)(H,37,44)(H,38,43)(H,39,42)(H4,30,31,35)(H4,32,33,36)/t19-,20-,21-,22-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ measured after 90 mins by scintillation counting ...


J Med Chem 63: 8198-8215 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00426
BindingDB Entry DOI: 10.7270/Q22R3W7V
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50542862
PNG
(CHEMBL4642345)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H49N11O5/c1-16(2)14-22(39-24(42)19(34-3)6-4-12-35-27(30)31)26(44)37-20(7-5-13-36-28(32)33)25(43)38-21(23(29)41)15-17-8-10-18(40)11-9-17/h8-11,16,19-22,34,40H,4-7,12-15H2,1-3H3,(H2,29,41)(H,37,44)(H,38,43)(H,39,42)(H4,30,31,35)(H4,32,33,36)/t19-,20-,21-,22-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ measured after 90 mins by scintillation counting ...


J Med Chem 63: 8198-8215 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00426
BindingDB Entry DOI: 10.7270/Q22R3W7V
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50542862
PNG
(CHEMBL4642345)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H49N11O5/c1-16(2)14-22(39-24(42)19(34-3)6-4-12-35-27(30)31)26(44)37-20(7-5-13-36-28(32)33)25(43)38-21(23(29)41)15-17-8-10-18(40)11-9-17/h8-11,16,19-22,34,40H,4-7,12-15H2,1-3H3,(H2,29,41)(H,37,44)(H,38,43)(H,39,42)(H4,30,31,35)(H4,32,33,36)/t19-,20-,21-,22-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]propionyl-pNPY from human Y2 receptor expressed in CHO cells measured after 2 hrs by microbeta liquid scintillation counting anal...


J Med Chem 63: 8198-8215 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00426
BindingDB Entry DOI: 10.7270/Q22R3W7V
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50542862
PNG
(CHEMBL4642345)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H49N11O5/c1-16(2)14-22(39-24(42)19(34-3)6-4-12-35-27(30)31)26(44)37-20(7-5-13-36-28(32)33)25(43)38-21(23(29)41)15-17-8-10-18(40)11-9-17/h8-11,16,19-22,34,40H,4-7,12-15H2,1-3H3,(H2,29,41)(H,37,44)(H,38,43)(H,39,42)(H4,30,31,35)(H4,32,33,36)/t19-,20-,21-,22-/m0/s1
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]propionyl-pNPY from human Y2 receptor expressed in CHO cells measured after 2 hrs by microbeta liquid scintillation counting anal...


J Med Chem 63: 8198-8215 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00426
BindingDB Entry DOI: 10.7270/Q22R3W7V
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50542862
PNG
(CHEMBL4642345)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H49N11O5/c1-16(2)14-22(39-24(42)19(34-3)6-4-12-35-27(30)31)26(44)37-20(7-5-13-36-28(32)33)25(43)38-21(23(29)41)15-17-8-10-18(40)11-9-17/h8-11,16,19-22,34,40H,4-7,12-15H2,1-3H3,(H2,29,41)(H,37,44)(H,38,43)(H,39,42)(H4,30,31,35)(H4,32,33,36)/t19-,20-,21-,22-/m0/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK299 from Y1 receptor in human SK-N-MC cells


J Med Chem 63: 8198-8215 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00426
BindingDB Entry DOI: 10.7270/Q22R3W7V
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50542862
PNG
(CHEMBL4642345)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H49N11O5/c1-16(2)14-22(39-24(42)19(34-3)6-4-12-35-27(30)31)26(44)37-20(7-5-13-36-28(32)33)25(43)38-21(23(29)41)15-17-8-10-18(40)11-9-17/h8-11,16,19-22,34,40H,4-7,12-15H2,1-3H3,(H2,29,41)(H,37,44)(H,38,43)(H,39,42)(H4,30,31,35)(H4,32,33,36)/t19-,20-,21-,22-/m0/s1
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<3.16E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK299 from Y1 receptor in human SK-N-MC cells


J Med Chem 63: 8198-8215 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00426
BindingDB Entry DOI: 10.7270/Q22R3W7V
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50542862
PNG
(CHEMBL4642345)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H49N11O5/c1-16(2)14-22(39-24(42)19(34-3)6-4-12-35-27(30)31)26(44)37-20(7-5-13-36-28(32)33)25(43)38-21(23(29)41)15-17-8-10-18(40)11-9-17/h8-11,16,19-22,34,40H,4-7,12-15H2,1-3H3,(H2,29,41)(H,37,44)(H,38,43)(H,39,42)(H4,30,31,35)(H4,32,33,36)/t19-,20-,21-,22-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]propionyl-pNPY from human Y5 receptor expressed in human HEC1B cells


J Med Chem 63: 8198-8215 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00426
BindingDB Entry DOI: 10.7270/Q22R3W7V
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50542862
PNG
(CHEMBL4642345)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H49N11O5/c1-16(2)14-22(39-24(42)19(34-3)6-4-12-35-27(30)31)26(44)37-20(7-5-13-36-28(32)33)25(43)38-21(23(29)41)15-17-8-10-18(40)11-9-17/h8-11,16,19-22,34,40H,4-7,12-15H2,1-3H3,(H2,29,41)(H,37,44)(H,38,43)(H,39,42)(H4,30,31,35)(H4,32,33,36)/t19-,20-,21-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]propionyl-pNPY from human Y5 receptor expressed in human HEC1B cells


J Med Chem 63: 8198-8215 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00426
BindingDB Entry DOI: 10.7270/Q22R3W7V
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50542862
PNG
(CHEMBL4642345)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H49N11O5/c1-16(2)14-22(39-24(42)19(34-3)6-4-12-35-27(30)31)26(44)37-20(7-5-13-36-28(32)33)25(43)38-21(23(29)41)15-17-8-10-18(40)11-9-17/h8-11,16,19-22,34,40H,4-7,12-15H2,1-3H3,(H2,29,41)(H,37,44)(H,38,43)(H,39,42)(H4,30,31,35)(H4,32,33,36)/t19-,20-,21-,22-/m0/s1
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n/an/an/an/a 1.18E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB2 assessed as induction of beta-arrestin2 recruitment measured for 40 mins...


J Med Chem 63: 8198-8215 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00426
BindingDB Entry DOI: 10.7270/Q22R3W7V
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50542862
PNG
(CHEMBL4642345)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H49N11O5/c1-16(2)14-22(39-24(42)19(34-3)6-4-12-35-27(30)31)26(44)37-20(7-5-13-36-28(32)33)25(43)38-21(23(29)41)15-17-8-10-18(40)11-9-17/h8-11,16,19-22,34,40H,4-7,12-15H2,1-3H3,(H2,29,41)(H,37,44)(H,38,43)(H,39,42)(H4,30,31,35)(H4,32,33,36)/t19-,20-,21-,22-/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB2 assessed as induction of beta-arrestin2 recruitment measured for 40 mins...


J Med Chem 63: 8198-8215 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00426
BindingDB Entry DOI: 10.7270/Q22R3W7V
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50542862
PNG
(CHEMBL4642345)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H49N11O5/c1-16(2)14-22(39-24(42)19(34-3)6-4-12-35-27(30)31)26(44)37-20(7-5-13-36-28(32)33)25(43)38-21(23(29)41)15-17-8-10-18(40)11-9-17/h8-11,16,19-22,34,40H,4-7,12-15H2,1-3H3,(H2,29,41)(H,37,44)(H,38,43)(H,39,42)(H4,30,31,35)(H4,32,33,36)/t19-,20-,21-,22-/m0/s1
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n/an/an/an/a 2.46E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB1 assessed as induction of beta-arrestin1 recruitment measured for 40 mins...


J Med Chem 63: 8198-8215 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00426
BindingDB Entry DOI: 10.7270/Q22R3W7V
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50542862
PNG
(CHEMBL4642345)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H49N11O5/c1-16(2)14-22(39-24(42)19(34-3)6-4-12-35-27(30)31)26(44)37-20(7-5-13-36-28(32)33)25(43)38-21(23(29)41)15-17-8-10-18(40)11-9-17/h8-11,16,19-22,34,40H,4-7,12-15H2,1-3H3,(H2,29,41)(H,37,44)(H,38,43)(H,39,42)(H4,30,31,35)(H4,32,33,36)/t19-,20-,21-,22-/m0/s1
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n/an/an/an/a 2.50E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB1 assessed as induction of beta-arrestin1 recruitment measured for 40 mins...


J Med Chem 63: 8198-8215 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00426
BindingDB Entry DOI: 10.7270/Q22R3W7V
More data for this
Ligand-Target Pair