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BDBM50301649 CHEMBL565625::trans-N-(5-(3-(fluoromethoxy)phenyl)pyrimidin-2-yl)-7'-oxo-7'H-spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-4-carboxamide

SMILES: FCOc1cccc(c1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ncccc32)nc1

InChI Key: InChIKey=ZDFDSFHWOKGARX-AOVWKMQPSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50301649   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50301649
PNG
(CHEMBL565625 | trans-N-(5-(3-(fluoromethoxy)phenyl...)
Show SMILES FCOc1cccc(c1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ncccc32)nc1 |r,wU:19.23,wD:16.16,(8.86,-35.8,;7.53,-36.58,;6.2,-35.82,;4.87,-36.59,;4.87,-38.14,;3.54,-38.91,;2.21,-38.14,;2.21,-36.6,;3.53,-35.83,;.87,-35.83,;-.46,-36.6,;-1.79,-35.83,;-1.79,-34.3,;-3.12,-33.53,;-4.45,-34.3,;-5.79,-33.53,;-4.45,-35.84,;-5.78,-36.61,;-5.78,-38.15,;-4.45,-38.92,;-3.12,-38.15,;-3.12,-36.61,;-3.53,-40.16,;-4.44,-41.43,;-3.95,-42.89,;-5.92,-40.95,;-7.26,-41.73,;-8.59,-40.95,;-8.59,-39.41,;-7.26,-38.64,;-5.93,-39.4,;-.46,-33.52,;.87,-34.29,)|
Show InChI InChI=1S/C24H21FN4O4/c25-14-32-18-4-1-3-16(11-18)17-12-27-23(28-13-17)29-21(30)15-6-8-24(9-7-15)19-5-2-10-26-20(19)22(31)33-24/h1-5,10-13,15H,6-9,14H2,(H,27,28,29,30)/t15-,24-
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPY Y5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 19: 5436-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.103
BindingDB Entry DOI: 10.7270/Q27D2V6Q
More data for this
Ligand-Target Pair