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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 422.5
BDBM50101562

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

Found 3 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))
BDBM50101562
PNG
(1-(1,2-Diphenyl-ethyl)-1-methyl-3-(4-phenoxy-pheny...)
Show SMILES CN(C(Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H26N2O2/c1-30(27(23-13-7-3-8-14-23)21-22-11-5-2-6-12-22)28(31)29-24-17-19-26(20-18-24)32-25-15-9-4-10-16-25/h2-20,27H,21H2,1H3,(H,29,31)
KEGG

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PC cid
PC sid
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Similars

PubMed
n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Neuropeptide Y5 Receptor.


J Med Chem 44: 2344-56 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J56
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50101562
PNG
(1-(1,2-Diphenyl-ethyl)-1-methyl-3-(4-phenoxy-pheny...)
Show SMILES CN(C(Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H26N2O2/c1-30(27(23-13-7-3-8-14-23)21-22-11-5-2-6-12-22)28(31)29-24-17-19-26(20-18-24)32-25-15-9-4-10-16-25/h2-20,27H,21H2,1H3,(H,29,31)
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Neuropeptide Y1 Receptor.


J Med Chem 44: 2344-56 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J56
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50101562
PNG
(1-(1,2-Diphenyl-ethyl)-1-methyl-3-(4-phenoxy-pheny...)
Show SMILES CN(C(Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H26N2O2/c1-30(27(23-13-7-3-8-14-23)21-22-11-5-2-6-12-22)28(31)29-24-17-19-26(20-18-24)32-25-15-9-4-10-16-25/h2-20,27H,21H2,1H3,(H,29,31)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Neuropeptide Y2 Receptor.


J Med Chem 44: 2344-56 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J56
More data for this
Ligand-Target Pair