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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.5
BDBM50135638

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

Found 1 hit 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))
BDBM50135638
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-butyl-pheny...)
Show SMILES CCCCc1ccccc1N(CCCN(C)C)C(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C24H30N2OS/c1-4-5-11-19-12-6-8-14-21(19)26(17-10-16-25(2)3)24(27)23-18-20-13-7-9-15-22(20)28-23/h6-9,12-15,18H,4-5,10-11,16-17H2,1-3H3
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PC cid
PC sid
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Similars

PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand


Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair