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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 452.5
BDBM50073048

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

Found 5 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))
BDBM50073048
PNG
(2-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES O=C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)Nc1ccc2C(=O)c3ccccc3-c2c1
Show InChI InChI=1S/C27H24N4O3/c32-25(28-17-9-10-21-22(15-17)19-5-1-2-6-20(19)26(21)33)16-30-13-11-18(12-14-30)31-24-8-4-3-7-23(24)29-27(31)34/h1-10,15,18H,11-14,16H2,(H,28,32)(H,29,34)
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n/an/a 0.470n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against Neuropeptide Y receptor type 5 in rat


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50073048
PNG
(2-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES O=C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)Nc1ccc2C(=O)c3ccccc3-c2c1
Show InChI InChI=1S/C27H24N4O3/c32-25(28-17-9-10-21-22(15-17)19-5-1-2-6-20(19)26(21)33)16-30-13-11-18(12-14-30)31-24-8-4-3-7-23(24)29-27(31)34/h1-10,15,18H,11-14,16H2,(H,28,32)(H,29,34)
KEGG

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antibodypedia
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PubMed
n/an/a 0.470n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human Neuropeptide Y receptor type 5 in HEK 293 cell line by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2283-6 (2001)


BindingDB Entry DOI: 10.7270/Q2NZ86WB
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(RAT)
BDBM50073048
PNG
(2-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES O=C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)Nc1ccc2C(=O)c3ccccc3-c2c1
Show InChI InChI=1S/C27H24N4O3/c32-25(28-17-9-10-21-22(15-17)19-5-1-2-6-20(19)26(21)33)16-30-13-11-18(12-14-30)31-24-8-4-3-7-23(24)29-27(31)34/h1-10,15,18H,11-14,16H2,(H,28,32)(H,29,34)
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PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against Neuropeptide Y receptor type 4


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(RAT)
BDBM50073048
PNG
(2-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES O=C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)Nc1ccc2C(=O)c3ccccc3-c2c1
Show InChI InChI=1S/C27H24N4O3/c32-25(28-17-9-10-21-22(15-17)19-5-1-2-6-20(19)26(21)33)16-30-13-11-18(12-14-30)31-24-8-4-3-7-23(24)29-27(31)34/h1-10,15,18H,11-14,16H2,(H,28,32)(H,29,34)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against Neuropeptide Y receptor type 2


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(RAT)
BDBM50073048
PNG
(2-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES O=C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)Nc1ccc2C(=O)c3ccccc3-c2c1
Show InChI InChI=1S/C27H24N4O3/c32-25(28-17-9-10-21-22(15-17)19-5-1-2-6-20(19)26(21)33)16-30-13-11-18(12-14-30)31-24-8-4-3-7-23(24)29-27(31)34/h1-10,15,18H,11-14,16H2,(H,28,32)(H,29,34)
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PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against NPY1 (Neuropeptide Y receptor type 1)


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair