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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 403.3
BDBM50060731

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

Found 4 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 1


(Homo sapiens (Human))
BDBM50060731
PNG
(2-(2,4-Dichloro-phenoxymethyl)-1-methyl-3-piperidi...)
Show SMILES Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C22H24Cl2N2O/c1-25-20-8-4-3-7-17(20)18(14-26-11-5-2-6-12-26)21(25)15-27-22-10-9-16(23)13-19(22)24/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3
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Article
PubMed
1.26E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Neuropeptide Y receptor type 1 expressed in AV-12 cells


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50060731
PNG
(2-(2,4-Dichloro-phenoxymethyl)-1-methyl-3-piperidi...)
Show SMILES Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C22H24Cl2N2O/c1-25-20-8-4-3-7-17(20)18(14-26-11-5-2-6-12-26)21(25)15-27-22-10-9-16(23)13-19(22)24/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for human Neuropeptide Y receptor type 2


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50060731
PNG
(2-(2,4-Dichloro-phenoxymethyl)-1-methyl-3-piperidi...)
Show SMILES Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C22H24Cl2N2O/c1-25-20-8-4-3-7-17(20)18(14-26-11-5-2-6-12-26)21(25)15-27-22-10-9-16(23)13-19(22)24/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for human Neuropeptide Y receptor type 5


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50060731
PNG
(2-(2,4-Dichloro-phenoxymethyl)-1-methyl-3-piperidi...)
Show SMILES Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C22H24Cl2N2O/c1-25-20-8-4-3-7-17(20)18(14-26-11-5-2-6-12-26)21(25)15-27-22-10-9-16(23)13-19(22)24/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents


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



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for human Neuropeptide Y receptor type 4


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair