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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1' and Ligand = 'BDBM50199571'   
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))
BDBM50199571
PNG
(1-(4-chlorophenoxy)-N-((1-ethylpyrrolidin-2-yl)met...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1 |w:6.7|
Show InChI InChI=1S/C32H36ClFN4O2/c1-2-37-15-5-6-24(37)18-36-32(39)22-16-27-26-7-3-4-8-29(26)38(20-21-13-14-35-19-28(21)34)31(27)30(17-22)40-25-11-9-23(33)10-12-25/h3-4,7-12,16-17,21,24,28,35H,2,5-6,13-15,18-20H2,1H3,(H,36,39)/t21-,24?,28+/m0/s1
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Article
PubMed
n/an/a 263n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1043-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.034
BindingDB Entry DOI: 10.7270/Q20C4VDN
More data for this
Ligand-Target Pair