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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 248.3
BDBM50240829
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 20 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))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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0.0631n/an/an/an/an/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Effect on pancreatic polypeptide-mediated displacement of 125I-pancreatic polypeptide from human C-terminal eYFP-tagged NY4 receptor expressed in HEK...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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6.30n/an/an/an/an/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Effect on peptide YY-mediated displacement of 125I-pancreatic polypeptide from human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cell mem...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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6.30n/an/an/an/an/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Effect on neuropeptide Y-mediated displacement of 125I-pancreatic polypeptide from human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cell...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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n/an/an/an/a 443n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cells assessed as potentiation of neuropeptide Y-indu...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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n/an/an/an/a 0.0398n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as poten...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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n/an/an/an/a 0.398n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as poten...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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n/an/an/an/a 4n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cells assessed as potentiation of pancreatic polypept...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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n/an/an/an/a 794n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cells assessed as potentiation of peptide YY-induced ...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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n/an/an/an/a 5.10E+3n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human C-terminal eYFP-fused human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Gal...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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n/an/an/an/a 0.0398n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human C-terminal eYFP-fused human NY1 receptor expressed in African green monkey COS7 cells co-expressing delta6Gal...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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n/an/an/an/a 0.0631n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human C-terminal eYFP-fused human NY2 receptor expressed in African green monkey COS7 cells co-expressing delta6Gal...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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n/an/an/an/a 3.20n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human C-terminal eYFP-fused human NY5 receptor expressed in African green monkey COS7 cells co-expressing delta6Gal...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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n/an/an/an/a 0.400n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as poten...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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n/an/an/an/a 845n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cells assessed as potentiation of peptide YY-induced ...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
PDB

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n/an/an/an/a 0.501n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as poten...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
PDB

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n/an/an/an/a 398n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cells assessed as potentiation of neuropeptide Y-indu...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
PDB

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n/an/an/an/a 4.5n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cells assessed as potentiation of pancreatic polypept...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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n/an/an/an/a 5.01E+3n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human C-terminal eYFP-fused human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Gal...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
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n/an/an/an/a 0.0300n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as poten...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
Show SMILES CC(C)(C)c1ccc(OC2CCCCC2O)cc1
Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3
PDB

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n/an/an/an/a 0.5n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as poten...


J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair