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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 466.0
BDBM50060720

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))
BDBM50060720
PNG
(1'-{2-[2-(4-Chloro-phenoxymethyl)-1-methyl-1H-indo...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CCN2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C28H36ClN3O/c1-30-27-8-4-3-7-25(27)26(28(30)21-33-24-11-9-22(29)10-12-24)15-20-31-18-13-23(14-19-31)32-16-5-2-6-17-32/h3-4,7-12,23H,2,5-6,13-21H2,1H3
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Article
PubMed
93n/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 4


(Homo sapiens (Human))
BDBM50060720
PNG
(1'-{2-[2-(4-Chloro-phenoxymethyl)-1-methyl-1H-indo...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CCN2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C28H36ClN3O/c1-30-27-8-4-3-7-25(27)26(28(30)21-33-24-11-9-22(29)10-12-24)15-20-31-18-13-23(14-19-31)32-16-5-2-6-17-32/h3-4,7-12,23H,2,5-6,13-21H2,1H3
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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 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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50060720
PNG
(1'-{2-[2-(4-Chloro-phenoxymethyl)-1-methyl-1H-indo...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CCN2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C28H36ClN3O/c1-30-27-8-4-3-7-25(27)26(28(30)21-33-24-11-9-22(29)10-12-24)15-20-31-18-13-23(14-19-31)32-16-5-2-6-17-32/h3-4,7-12,23H,2,5-6,13-21H2,1H3
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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))
BDBM50060720
PNG
(1'-{2-[2-(4-Chloro-phenoxymethyl)-1-methyl-1H-indo...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CCN2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C28H36ClN3O/c1-30-27-8-4-3-7-25(27)26(28(30)21-33-24-11-9-22(29)10-12-24)15-20-31-18-13-23(14-19-31)32-16-5-2-6-17-32/h3-4,7-12,23H,2,5-6,13-21H2,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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