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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1161.3
BDBM50542851

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

Found 14 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))
BDBM50542851
PNG
(CHEMBL4643458)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C53H84N20O10/c1-29(2)24-41(49(82)70-38(14-8-22-63-52(58)59)47(80)72-40(44(55)77)25-31-16-18-33(75)19-17-31)73-48(81)39(15-9-23-64-53(60)61)71-50(83)42(26-32-27-65-35-11-5-4-10-34(32)35)68-43(76)28-66-45(78)36(12-6-20-54)69-46(79)37(67-30(3)74)13-7-21-62-51(56)57/h4-5,10-11,16-19,27,29,36-42,65,75H,6-9,12-15,20-26,28,54H2,1-3H3,(H2,55,77)(H,66,78)(H,67,74)(H,68,76)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t36?,37-,38-,39-,40-,41-,42-/m0/s1
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4n/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))
BDBM50542851
PNG
(CHEMBL4643458)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C53H84N20O10/c1-29(2)24-41(49(82)70-38(14-8-22-63-52(58)59)47(80)72-40(44(55)77)25-31-16-18-33(75)19-17-31)73-48(81)39(15-9-23-64-53(60)61)71-50(83)42(26-32-27-65-35-11-5-4-10-34(32)35)68-43(76)28-66-45(78)36(12-6-20-54)69-46(79)37(67-30(3)74)13-7-21-62-51(56)57/h4-5,10-11,16-19,27,29,36-42,65,75H,6-9,12-15,20-26,28,54H2,1-3H3,(H2,55,77)(H,66,78)(H,67,74)(H,68,76)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t36?,37-,38-,39-,40-,41-,42-/m0/s1
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4.30n/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))
BDBM50542851
PNG
(CHEMBL4643458)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C53H84N20O10/c1-29(2)24-41(49(82)70-38(14-8-22-63-52(58)59)47(80)72-40(44(55)77)25-31-16-18-33(75)19-17-31)73-48(81)39(15-9-23-64-53(60)61)71-50(83)42(26-32-27-65-35-11-5-4-10-34(32)35)68-43(76)28-66-45(78)36(12-6-20-54)69-46(79)37(67-30(3)74)13-7-21-62-51(56)57/h4-5,10-11,16-19,27,29,36-42,65,75H,6-9,12-15,20-26,28,54H2,1-3H3,(H2,55,77)(H,66,78)(H,67,74)(H,68,76)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t36?,37-,38-,39-,40-,41-,42-/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))
BDBM50542851
PNG
(CHEMBL4643458)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C53H84N20O10/c1-29(2)24-41(49(82)70-38(14-8-22-63-52(58)59)47(80)72-40(44(55)77)25-31-16-18-33(75)19-17-31)73-48(81)39(15-9-23-64-53(60)61)71-50(83)42(26-32-27-65-35-11-5-4-10-34(32)35)68-43(76)28-66-45(78)36(12-6-20-54)69-46(79)37(67-30(3)74)13-7-21-62-51(56)57/h4-5,10-11,16-19,27,29,36-42,65,75H,6-9,12-15,20-26,28,54H2,1-3H3,(H2,55,77)(H,66,78)(H,67,74)(H,68,76)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t36?,37-,38-,39-,40-,41-,42-/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))
BDBM50542851
PNG
(CHEMBL4643458)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C53H84N20O10/c1-29(2)24-41(49(82)70-38(14-8-22-63-52(58)59)47(80)72-40(44(55)77)25-31-16-18-33(75)19-17-31)73-48(81)39(15-9-23-64-53(60)61)71-50(83)42(26-32-27-65-35-11-5-4-10-34(32)35)68-43(76)28-66-45(78)36(12-6-20-54)69-46(79)37(67-30(3)74)13-7-21-62-51(56)57/h4-5,10-11,16-19,27,29,36-42,65,75H,6-9,12-15,20-26,28,54H2,1-3H3,(H2,55,77)(H,66,78)(H,67,74)(H,68,76)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t36?,37-,38-,39-,40-,41-,42-/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]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))
BDBM50542851
PNG
(CHEMBL4643458)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C53H84N20O10/c1-29(2)24-41(49(82)70-38(14-8-22-63-52(58)59)47(80)72-40(44(55)77)25-31-16-18-33(75)19-17-31)73-48(81)39(15-9-23-64-53(60)61)71-50(83)42(26-32-27-65-35-11-5-4-10-34(32)35)68-43(76)28-66-45(78)36(12-6-20-54)69-46(79)37(67-30(3)74)13-7-21-62-51(56)57/h4-5,10-11,16-19,27,29,36-42,65,75H,6-9,12-15,20-26,28,54H2,1-3H3,(H2,55,77)(H,66,78)(H,67,74)(H,68,76)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t36?,37-,38-,39-,40-,41-,42-/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]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))
BDBM50542851
PNG
(CHEMBL4643458)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C53H84N20O10/c1-29(2)24-41(49(82)70-38(14-8-22-63-52(58)59)47(80)72-40(44(55)77)25-31-16-18-33(75)19-17-31)73-48(81)39(15-9-23-64-53(60)61)71-50(83)42(26-32-27-65-35-11-5-4-10-34(32)35)68-43(76)28-66-45(78)36(12-6-20-54)69-46(79)37(67-30(3)74)13-7-21-62-51(56)57/h4-5,10-11,16-19,27,29,36-42,65,75H,6-9,12-15,20-26,28,54H2,1-3H3,(H2,55,77)(H,66,78)(H,67,74)(H,68,76)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t36?,37-,38-,39-,40-,41-,42-/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 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))
BDBM50542851
PNG
(CHEMBL4643458)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C53H84N20O10/c1-29(2)24-41(49(82)70-38(14-8-22-63-52(58)59)47(80)72-40(44(55)77)25-31-16-18-33(75)19-17-31)73-48(81)39(15-9-23-64-53(60)61)71-50(83)42(26-32-27-65-35-11-5-4-10-34(32)35)68-43(76)28-66-45(78)36(12-6-20-54)69-46(79)37(67-30(3)74)13-7-21-62-51(56)57/h4-5,10-11,16-19,27,29,36-42,65,75H,6-9,12-15,20-26,28,54H2,1-3H3,(H2,55,77)(H,66,78)(H,67,74)(H,68,76)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t36?,37-,38-,39-,40-,41-,42-/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 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))
BDBM50542851
PNG
(CHEMBL4643458)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C53H84N20O10/c1-29(2)24-41(49(82)70-38(14-8-22-63-52(58)59)47(80)72-40(44(55)77)25-31-16-18-33(75)19-17-31)73-48(81)39(15-9-23-64-53(60)61)71-50(83)42(26-32-27-65-35-11-5-4-10-34(32)35)68-43(76)28-66-45(78)36(12-6-20-54)69-46(79)37(67-30(3)74)13-7-21-62-51(56)57/h4-5,10-11,16-19,27,29,36-42,65,75H,6-9,12-15,20-26,28,54H2,1-3H3,(H2,55,77)(H,66,78)(H,67,74)(H,68,76)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t36?,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/an/a 170n/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))
BDBM50542851
PNG
(CHEMBL4643458)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C53H84N20O10/c1-29(2)24-41(49(82)70-38(14-8-22-63-52(58)59)47(80)72-40(44(55)77)25-31-16-18-33(75)19-17-31)73-48(81)39(15-9-23-64-53(60)61)71-50(83)42(26-32-27-65-35-11-5-4-10-34(32)35)68-43(76)28-66-45(78)36(12-6-20-54)69-46(79)37(67-30(3)74)13-7-21-62-51(56)57/h4-5,10-11,16-19,27,29,36-42,65,75H,6-9,12-15,20-26,28,54H2,1-3H3,(H2,55,77)(H,66,78)(H,67,74)(H,68,76)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t36?,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/an/a 170n/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))
BDBM50542851
PNG
(CHEMBL4643458)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C53H84N20O10/c1-29(2)24-41(49(82)70-38(14-8-22-63-52(58)59)47(80)72-40(44(55)77)25-31-16-18-33(75)19-17-31)73-48(81)39(15-9-23-64-53(60)61)71-50(83)42(26-32-27-65-35-11-5-4-10-34(32)35)68-43(76)28-66-45(78)36(12-6-20-54)69-46(79)37(67-30(3)74)13-7-21-62-51(56)57/h4-5,10-11,16-19,27,29,36-42,65,75H,6-9,12-15,20-26,28,54H2,1-3H3,(H2,55,77)(H,66,78)(H,67,74)(H,68,76)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t36?,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/an/a 141n/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))
BDBM50542851
PNG
(CHEMBL4643458)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C53H84N20O10/c1-29(2)24-41(49(82)70-38(14-8-22-63-52(58)59)47(80)72-40(44(55)77)25-31-16-18-33(75)19-17-31)73-48(81)39(15-9-23-64-53(60)61)71-50(83)42(26-32-27-65-35-11-5-4-10-34(32)35)68-43(76)28-66-45(78)36(12-6-20-54)69-46(79)37(67-30(3)74)13-7-21-62-51(56)57/h4-5,10-11,16-19,27,29,36-42,65,75H,6-9,12-15,20-26,28,54H2,1-3H3,(H2,55,77)(H,66,78)(H,67,74)(H,68,76)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t36?,37-,38-,39-,40-,41-,42-/m0/s1
PDB

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UniChem
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PubMed
n/an/an/an/a 140n/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))
BDBM50542851
PNG
(CHEMBL4643458)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C53H84N20O10/c1-29(2)24-41(49(82)70-38(14-8-22-63-52(58)59)47(80)72-40(44(55)77)25-31-16-18-33(75)19-17-31)73-48(81)39(15-9-23-64-53(60)61)71-50(83)42(26-32-27-65-35-11-5-4-10-34(32)35)68-43(76)28-66-45(78)36(12-6-20-54)69-46(79)37(67-30(3)74)13-7-21-62-51(56)57/h4-5,10-11,16-19,27,29,36-42,65,75H,6-9,12-15,20-26,28,54H2,1-3H3,(H2,55,77)(H,66,78)(H,67,74)(H,68,76)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t36?,37-,38-,39-,40-,41-,42-/m0/s1
PDB

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UniChem
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PubMed
n/an/an/an/a 234n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as intracellular calcium mobilization measured for 43 ...


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))
BDBM50542851
PNG
(CHEMBL4643458)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C53H84N20O10/c1-29(2)24-41(49(82)70-38(14-8-22-63-52(58)59)47(80)72-40(44(55)77)25-31-16-18-33(75)19-17-31)73-48(81)39(15-9-23-64-53(60)61)71-50(83)42(26-32-27-65-35-11-5-4-10-34(32)35)68-43(76)28-66-45(78)36(12-6-20-54)69-46(79)37(67-30(3)74)13-7-21-62-51(56)57/h4-5,10-11,16-19,27,29,36-42,65,75H,6-9,12-15,20-26,28,54H2,1-3H3,(H2,55,77)(H,66,78)(H,67,74)(H,68,76)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t36?,37-,38-,39-,40-,41-,42-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 230n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as intracellular calcium mobilization measured for 43 ...


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