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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 374.4
BDBM50101531

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))
BDBM50101531
PNG
(3-Dibenzofuran-2-yl-1-(2-hydroxy-1-methyl-2-phenyl...)
Show SMILES C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C23H22N2O3/c1-15(22(26)16-8-4-3-5-9-16)25(2)23(27)24-17-12-13-21-19(14-17)18-10-6-7-11-20(18)28-21/h3-15,22,26H,1-2H3,(H,24,27)/t15-,22-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4n/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))
BDBM50101531
PNG
(3-Dibenzofuran-2-yl-1-(2-hydroxy-1-methyl-2-phenyl...)
Show SMILES C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C23H22N2O3/c1-15(22(26)16-8-4-3-5-9-16)25(2)23(27)24-17-12-13-21-19(14-17)18-10-6-7-11-20(18)28-21/h3-15,22,26H,1-2H3,(H,24,27)/t15-,22-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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))
BDBM50101531
PNG
(3-Dibenzofuran-2-yl-1-(2-hydroxy-1-methyl-2-phenyl...)
Show SMILES C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C23H22N2O3/c1-15(22(26)16-8-4-3-5-9-16)25(2)23(27)24-17-12-13-21-19(14-17)18-10-6-7-11-20(18)28-21/h3-15,22,26H,1-2H3,(H,24,27)/t15-,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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