BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1505.7
BDBM50535851

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

Found 6 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 5


(Homo sapiens (Human))
BDBM50535851
PNG
(CHEMBL4576579)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C74H108N18O16/c1-41(2)35-57(71(107)87-53(13-11-33-81-73(77)78)67(103)89-55(63(75)99)37-45-17-25-49(93)26-18-45)91-65(101)43(5)83-69(105)59(39-47-21-29-51(95)30-22-47)85-61(97)15-9-7-8-10-16-62(98)86-60(40-48-23-31-52(96)32-24-48)70(106)84-44(6)66(102)92-58(36-42(3)4)72(108)88-54(14-12-34-82-74(79)80)68(104)90-56(64(76)100)38-46-19-27-50(94)28-20-46/h17-32,41-44,53-60,93-96H,7-16,33-40H2,1-6H3,(H2,75,99)(H2,76,100)(H,83,105)(H,84,106)(H,85,97)(H,86,98)(H,87,107)(H,88,108)(H,89,103)(H,90,104)(H,91,101)(H,92,102)(H4,77,78,81)(H4,79,80,82)/t43-,44-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
550n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]propionyl-pNPY from human NPY Y5 receptor expressed in human HEC1b cells after 120 mins by liquid scintillation counting


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50535851
PNG
(CHEMBL4576579)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C74H108N18O16/c1-41(2)35-57(71(107)87-53(13-11-33-81-73(77)78)67(103)89-55(63(75)99)37-45-17-25-49(93)26-18-45)91-65(101)43(5)83-69(105)59(39-47-21-29-51(95)30-22-47)85-61(97)15-9-7-8-10-16-62(98)86-60(40-48-23-31-52(96)32-24-48)70(106)84-44(6)66(102)92-58(36-42(3)4)72(108)88-54(14-12-34-82-74(79)80)68(104)90-56(64(76)100)38-46-19-27-50(94)28-20-46/h17-32,41-44,53-60,93-96H,7-16,33-40H2,1-6H3,(H2,75,99)(H2,76,100)(H,83,105)(H,84,106)(H,85,97)(H,86,98)(H,87,107)(H,88,108)(H,89,103)(H,90,104)(H,91,101)(H,92,102)(H4,77,78,81)(H4,79,80,82)/t43-,44-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HE...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50535851
PNG
(CHEMBL4576579)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C74H108N18O16/c1-41(2)35-57(71(107)87-53(13-11-33-81-73(77)78)67(103)89-55(63(75)99)37-45-17-25-49(93)26-18-45)91-65(101)43(5)83-69(105)59(39-47-21-29-51(95)30-22-47)85-61(97)15-9-7-8-10-16-62(98)86-60(40-48-23-31-52(96)32-24-48)70(106)84-44(6)66(102)92-58(36-42(3)4)72(108)88-54(14-12-34-82-74(79)80)68(104)90-56(64(76)100)38-46-19-27-50(94)28-20-46/h17-32,41-44,53-60,93-96H,7-16,33-40H2,1-6H3,(H2,75,99)(H2,76,100)(H,83,105)(H,84,106)(H,85,97)(H,86,98)(H,87,107)(H,88,108)(H,89,103)(H,90,104)(H,91,101)(H,92,102)(H4,77,78,81)(H4,79,80,82)/t43-,44-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK136 from human NPY Y1 receptor expressed in human MCF7 cells by liquid scintillation counting


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50535851
PNG
(CHEMBL4576579)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C74H108N18O16/c1-41(2)35-57(71(107)87-53(13-11-33-81-73(77)78)67(103)89-55(63(75)99)37-45-17-25-49(93)26-18-45)91-65(101)43(5)83-69(105)59(39-47-21-29-51(95)30-22-47)85-61(97)15-9-7-8-10-16-62(98)86-60(40-48-23-31-52(96)32-24-48)70(106)84-44(6)66(102)92-58(36-42(3)4)72(108)88-54(14-12-34-82-74(79)80)68(104)90-56(64(76)100)38-46-19-27-50(94)28-20-46/h17-32,41-44,53-60,93-96H,7-16,33-40H2,1-6H3,(H2,75,99)(H2,76,100)(H,83,105)(H,84,106)(H,85,97)(H,86,98)(H,87,107)(H,88,108)(H,89,103)(H,90,104)(H,91,101)(H,92,102)(H4,77,78,81)(H4,79,80,82)/t43-,44-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>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 NPY Y2 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins by liquid scintillation c...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50535851
PNG
(CHEMBL4576579)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C74H108N18O16/c1-41(2)35-57(71(107)87-53(13-11-33-81-73(77)78)67(103)89-55(63(75)99)37-45-17-25-49(93)26-18-45)91-65(101)43(5)83-69(105)59(39-47-21-29-51(95)30-22-47)85-61(97)15-9-7-8-10-16-62(98)86-60(40-48-23-31-52(96)32-24-48)70(106)84-44(6)66(102)92-58(36-42(3)4)72(108)88-54(14-12-34-82-74(79)80)68(104)90-56(64(76)100)38-46-19-27-50(94)28-20-46/h17-32,41-44,53-60,93-96H,7-16,33-40H2,1-6H3,(H2,75,99)(H2,76,100)(H,83,105)(H,84,106)(H,85,97)(H,86,98)(H,87,107)(H,88,108)(H,89,103)(H,90,104)(H,91,101)(H,92,102)(H4,77,78,81)(H4,79,80,82)/t43-,44-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human NPY Y4 receptor expressed in HEK293 cells co-expressing CRE-Luc gene assessed as inhibition of forskolin stimulated lucifer...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50535851
PNG
(CHEMBL4576579)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C74H108N18O16/c1-41(2)35-57(71(107)87-53(13-11-33-81-73(77)78)67(103)89-55(63(75)99)37-45-17-25-49(93)26-18-45)91-65(101)43(5)83-69(105)59(39-47-21-29-51(95)30-22-47)85-61(97)15-9-7-8-10-16-62(98)86-60(40-48-23-31-52(96)32-24-48)70(106)84-44(6)66(102)92-58(36-42(3)4)72(108)88-54(14-12-34-82-74(79)80)68(104)90-56(64(76)100)38-46-19-27-50(94)28-20-46/h17-32,41-44,53-60,93-96H,7-16,33-40H2,1-6H3,(H2,75,99)(H2,76,100)(H,83,105)(H,84,106)(H,85,97)(H,86,98)(H,87,107)(H,88,108)(H,89,103)(H,90,104)(H,91,101)(H,92,102)(H4,77,78,81)(H4,79,80,82)/t43-,44-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as induction of calcium mobilization by aequorin l...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair