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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1737.9
BDBM50466549

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

Found 16 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 2


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y2R expressed in CHO cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y2R expressed in CHO cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
630n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PP from human Y4R expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
631n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PP from human Y4R expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y5R expressed in HEK293 cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y5R expressed in HEK293 cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y1R expressed in BHK-21 cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.94E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y1R expressed in BHK-21 cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 794n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Activation of human Y5R expressed in HEK293 cells assessed as inhibition of isoproterenol-induced increase in intracellular cAMP levels by calcium 5 ...


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Activation of human Y2R expressed in HEK293 cells assessed as inhibition of isoproterenol-induced increase in intracellular cAMP levels by calcium 5 ...


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Activation of human Y1R expressed in HEK293 cells assessed as inhibition of isoproterenol-induced increase in intracellular cAMP levels by calcium 5 ...


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Activation of human Y2R expressed in HEK293 cells assessed as inhibition of isoproterenol-induced increase in intracellular cAMP levels by calcium 5 ...


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a<1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Activation of human Y4R expressed in HEK293 cells assessed as inhibition of isoproterenol-induced increase in intracellular cAMP levels by calcium 5 ...


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Activation of human Y4R expressed in HEK293 cells assessed as inhibition of isoproterenol-induced increase in intracellular cAMP levels by calcium 5 ...


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 790n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Activation of human Y5R expressed in HEK293 cells assessed as inhibition of isoproterenol-induced increase in intracellular cAMP levels by calcium 5 ...


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50466549
PNG
(CHEMBL4282168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C79H120N26O19/c1-39(2)31-54(98-70(117)56(33-43-18-22-46(107)23-19-43)100-71(118)57(35-45-37-89-38-93-45)101-66(113)50(15-10-28-90-77(83)84)94-64(111)48-13-8-9-14-49(48)80)69(116)102-58(36-61(82)110)72(119)99-55(32-40(3)4)73(120)104-62(41(5)6)74(121)105-63(42(7)106)75(122)97-52(17-12-30-92-79(87)88)65(112)96-53(26-27-60(81)109)68(115)95-51(16-11-29-91-78(85)86)67(114)103-59(76(123)124)34-44-20-24-47(108)25-21-44/h8-9,13-14,18-25,37-42,50-59,62-63,106-108H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,119)(H,100,118)(H,101,113)(H,102,116)(H,103,114)(H,104,120)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a<1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Activation of human Y1R expressed in HEK293 cells assessed as inhibition of isoproterenol-induced increase in intracellular cAMP levels by calcium 5 ...


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair