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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1047.2
BDBM50542854

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))
BDBM50542854
PNG
(CHEMBL4643341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C48H74N18O9/c1-26(2)21-37(44(74)63-34(12-7-19-57-47(52)53)42(72)65-36(40(49)70)23-29-24-59-32-10-5-4-9-31(29)32)66-43(73)35(13-8-20-58-48(54)55)64-45(75)38(22-28-14-16-30(68)17-15-28)62-39(69)25-60-41(71)33(61-27(3)67)11-6-18-56-46(50)51/h4-5,9-10,14-17,24,26,33-38,59,68H,6-8,11-13,18-23,25H2,1-3H3,(H2,49,70)(H,60,71)(H,61,67)(H,62,69)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38-/m0/s1
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30.9n/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))
BDBM50542854
PNG
(CHEMBL4643341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C48H74N18O9/c1-26(2)21-37(44(74)63-34(12-7-19-57-47(52)53)42(72)65-36(40(49)70)23-29-24-59-32-10-5-4-9-31(29)32)66-43(73)35(13-8-20-58-48(54)55)64-45(75)38(22-28-14-16-30(68)17-15-28)62-39(69)25-60-41(71)33(61-27(3)67)11-6-18-56-46(50)51/h4-5,9-10,14-17,24,26,33-38,59,68H,6-8,11-13,18-23,25H2,1-3H3,(H2,49,70)(H,60,71)(H,61,67)(H,62,69)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38-/m0/s1
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31n/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))
BDBM50542854
PNG
(CHEMBL4643341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C48H74N18O9/c1-26(2)21-37(44(74)63-34(12-7-19-57-47(52)53)42(72)65-36(40(49)70)23-29-24-59-32-10-5-4-9-31(29)32)66-43(73)35(13-8-20-58-48(54)55)64-45(75)38(22-28-14-16-30(68)17-15-28)62-39(69)25-60-41(71)33(61-27(3)67)11-6-18-56-46(50)51/h4-5,9-10,14-17,24,26,33-38,59,68H,6-8,11-13,18-23,25H2,1-3H3,(H2,49,70)(H,60,71)(H,61,67)(H,62,69)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38-/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))
BDBM50542854
PNG
(CHEMBL4643341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C48H74N18O9/c1-26(2)21-37(44(74)63-34(12-7-19-57-47(52)53)42(72)65-36(40(49)70)23-29-24-59-32-10-5-4-9-31(29)32)66-43(73)35(13-8-20-58-48(54)55)64-45(75)38(22-28-14-16-30(68)17-15-28)62-39(69)25-60-41(71)33(61-27(3)67)11-6-18-56-46(50)51/h4-5,9-10,14-17,24,26,33-38,59,68H,6-8,11-13,18-23,25H2,1-3H3,(H2,49,70)(H,60,71)(H,61,67)(H,62,69)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38-/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))
BDBM50542854
PNG
(CHEMBL4643341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C48H74N18O9/c1-26(2)21-37(44(74)63-34(12-7-19-57-47(52)53)42(72)65-36(40(49)70)23-29-24-59-32-10-5-4-9-31(29)32)66-43(73)35(13-8-20-58-48(54)55)64-45(75)38(22-28-14-16-30(68)17-15-28)62-39(69)25-60-41(71)33(61-27(3)67)11-6-18-56-46(50)51/h4-5,9-10,14-17,24,26,33-38,59,68H,6-8,11-13,18-23,25H2,1-3H3,(H2,49,70)(H,60,71)(H,61,67)(H,62,69)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38-/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))
BDBM50542854
PNG
(CHEMBL4643341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C48H74N18O9/c1-26(2)21-37(44(74)63-34(12-7-19-57-47(52)53)42(72)65-36(40(49)70)23-29-24-59-32-10-5-4-9-31(29)32)66-43(73)35(13-8-20-58-48(54)55)64-45(75)38(22-28-14-16-30(68)17-15-28)62-39(69)25-60-41(71)33(61-27(3)67)11-6-18-56-46(50)51/h4-5,9-10,14-17,24,26,33-38,59,68H,6-8,11-13,18-23,25H2,1-3H3,(H2,49,70)(H,60,71)(H,61,67)(H,62,69)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38-/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))
BDBM50542854
PNG
(CHEMBL4643341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C48H74N18O9/c1-26(2)21-37(44(74)63-34(12-7-19-57-47(52)53)42(72)65-36(40(49)70)23-29-24-59-32-10-5-4-9-31(29)32)66-43(73)35(13-8-20-58-48(54)55)64-45(75)38(22-28-14-16-30(68)17-15-28)62-39(69)25-60-41(71)33(61-27(3)67)11-6-18-56-46(50)51/h4-5,9-10,14-17,24,26,33-38,59,68H,6-8,11-13,18-23,25H2,1-3H3,(H2,49,70)(H,60,71)(H,61,67)(H,62,69)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38-/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))
BDBM50542854
PNG
(CHEMBL4643341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C48H74N18O9/c1-26(2)21-37(44(74)63-34(12-7-19-57-47(52)53)42(72)65-36(40(49)70)23-29-24-59-32-10-5-4-9-31(29)32)66-43(73)35(13-8-20-58-48(54)55)64-45(75)38(22-28-14-16-30(68)17-15-28)62-39(69)25-60-41(71)33(61-27(3)67)11-6-18-56-46(50)51/h4-5,9-10,14-17,24,26,33-38,59,68H,6-8,11-13,18-23,25H2,1-3H3,(H2,49,70)(H,60,71)(H,61,67)(H,62,69)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38-/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))
BDBM50542854
PNG
(CHEMBL4643341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C48H74N18O9/c1-26(2)21-37(44(74)63-34(12-7-19-57-47(52)53)42(72)65-36(40(49)70)23-29-24-59-32-10-5-4-9-31(29)32)66-43(73)35(13-8-20-58-48(54)55)64-45(75)38(22-28-14-16-30(68)17-15-28)62-39(69)25-60-41(71)33(61-27(3)67)11-6-18-56-46(50)51/h4-5,9-10,14-17,24,26,33-38,59,68H,6-8,11-13,18-23,25H2,1-3H3,(H2,49,70)(H,60,71)(H,61,67)(H,62,69)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38-/m0/s1
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n/an/an/an/a 525n/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))
BDBM50542854
PNG
(CHEMBL4643341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C48H74N18O9/c1-26(2)21-37(44(74)63-34(12-7-19-57-47(52)53)42(72)65-36(40(49)70)23-29-24-59-32-10-5-4-9-31(29)32)66-43(73)35(13-8-20-58-48(54)55)64-45(75)38(22-28-14-16-30(68)17-15-28)62-39(69)25-60-41(71)33(61-27(3)67)11-6-18-56-46(50)51/h4-5,9-10,14-17,24,26,33-38,59,68H,6-8,11-13,18-23,25H2,1-3H3,(H2,49,70)(H,60,71)(H,61,67)(H,62,69)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38-/m0/s1
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n/an/an/an/a 520n/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))
BDBM50542854
PNG
(CHEMBL4643341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C48H74N18O9/c1-26(2)21-37(44(74)63-34(12-7-19-57-47(52)53)42(72)65-36(40(49)70)23-29-24-59-32-10-5-4-9-31(29)32)66-43(73)35(13-8-20-58-48(54)55)64-45(75)38(22-28-14-16-30(68)17-15-28)62-39(69)25-60-41(71)33(61-27(3)67)11-6-18-56-46(50)51/h4-5,9-10,14-17,24,26,33-38,59,68H,6-8,11-13,18-23,25H2,1-3H3,(H2,49,70)(H,60,71)(H,61,67)(H,62,69)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38-/m0/s1
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n/an/an/an/a 355n/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))
BDBM50542854
PNG
(CHEMBL4643341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C48H74N18O9/c1-26(2)21-37(44(74)63-34(12-7-19-57-47(52)53)42(72)65-36(40(49)70)23-29-24-59-32-10-5-4-9-31(29)32)66-43(73)35(13-8-20-58-48(54)55)64-45(75)38(22-28-14-16-30(68)17-15-28)62-39(69)25-60-41(71)33(61-27(3)67)11-6-18-56-46(50)51/h4-5,9-10,14-17,24,26,33-38,59,68H,6-8,11-13,18-23,25H2,1-3H3,(H2,49,70)(H,60,71)(H,61,67)(H,62,69)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38-/m0/s1
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n/an/an/an/a 360n/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))
BDBM50542854
PNG
(CHEMBL4643341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C48H74N18O9/c1-26(2)21-37(44(74)63-34(12-7-19-57-47(52)53)42(72)65-36(40(49)70)23-29-24-59-32-10-5-4-9-31(29)32)66-43(73)35(13-8-20-58-48(54)55)64-45(75)38(22-28-14-16-30(68)17-15-28)62-39(69)25-60-41(71)33(61-27(3)67)11-6-18-56-46(50)51/h4-5,9-10,14-17,24,26,33-38,59,68H,6-8,11-13,18-23,25H2,1-3H3,(H2,49,70)(H,60,71)(H,61,67)(H,62,69)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38-/m0/s1
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n/an/an/an/a 380n/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))
BDBM50542854
PNG
(CHEMBL4643341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C48H74N18O9/c1-26(2)21-37(44(74)63-34(12-7-19-57-47(52)53)42(72)65-36(40(49)70)23-29-24-59-32-10-5-4-9-31(29)32)66-43(73)35(13-8-20-58-48(54)55)64-45(75)38(22-28-14-16-30(68)17-15-28)62-39(69)25-60-41(71)33(61-27(3)67)11-6-18-56-46(50)51/h4-5,9-10,14-17,24,26,33-38,59,68H,6-8,11-13,18-23,25H2,1-3H3,(H2,49,70)(H,60,71)(H,61,67)(H,62,69)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38-/m0/s1
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n/an/an/an/a 380n/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