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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.4
BDBM50101552

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

Found 2 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 2


(Homo sapiens (Human))
BDBM50101552
PNG
(3-[4-(4-Fluoro-phenoxy)-phenyl]-1-(2-hydroxy-1-met...)
Show SMILES C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H23FN2O3/c1-16(22(27)17-6-4-3-5-7-17)26(2)23(28)25-19-10-14-21(15-11-19)29-20-12-8-18(24)9-13-20/h3-16,22,27H,1-2H3,(H,25,28)/t16-,22-/m1/s1
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PC cid
PC sid
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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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50101552
PNG
(3-[4-(4-Fluoro-phenoxy)-phenyl]-1-(2-hydroxy-1-met...)
Show SMILES C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H23FN2O3/c1-16(22(27)17-6-4-3-5-7-17)26(2)23(28)25-19-10-14-21(15-11-19)29-20-12-8-18(24)9-13-20/h3-16,22,27H,1-2H3,(H,25,28)/t16-,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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 Y1 Receptor.


J Med Chem 44: 2344-56 (2001)


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