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BDBM397136 N-(1-azabicyclo[2.2.2]octan-3-yl)-6-oxo-1-[5-(phenylmethyl)-2-thiazolyl)]-3-pyridine carboxamide::US10456385, Example 29::US9987259, Example 29

SMILES: O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1ncc(Cc2ccccc2)s1

InChI Key: InChIKey=KGZOLQLWJGJBCT-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 397136   
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
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM397136
PNG
(N-(1-azabicyclo[2.2.2]octan-3-yl)-6-oxo-1-[5-(phen...)
Show SMILES O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1ncc(Cc2ccccc2)s1 |(3.49,.69,;3.49,-.85,;4.83,-1.62,;6.16,-.85,;6.16,.69,;7.5,1.46,;8.83,.69,;8.83,-.85,;7.5,-1.62,;8.21,-.27,;6.73,.13,;2.16,-1.62,;2.16,-3.16,;.83,-3.93,;-.51,-3.16,;-1.84,-3.93,;-.51,-1.62,;.83,-.85,;-1.84,-.85,;-1.84,.69,;-3.3,1.17,;-4.21,-.08,;-5.75,-.08,;-6.52,1.26,;-5.75,2.59,;-6.52,3.93,;-8.06,3.93,;-8.83,2.59,;-8.06,1.26,;-3.3,-1.32,)|
Show InChI InChI=1S/C23H24N4O2S/c28-21-7-6-18(22(29)25-20-15-26-10-8-17(20)9-11-26)14-27(21)23-24-13-19(30-23)12-16-4-2-1-3-5-16/h1-7,13-14,17,20H,8-12,15H2,(H,25,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 300n/an/an/an/a



SK BIOPHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Activity of heteromeric α7 nAChR was measured via FlexStation-Ca2+ influx assay. In the present example, in consideration of α7 nAChR being...


US Patent US10456385 (2019)


BindingDB Entry DOI: 10.7270/Q2V12762
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM397136
PNG
(N-(1-azabicyclo[2.2.2]octan-3-yl)-6-oxo-1-[5-(phen...)
Show SMILES O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1ncc(Cc2ccccc2)s1 |(3.49,.69,;3.49,-.85,;4.83,-1.62,;6.16,-.85,;6.16,.69,;7.5,1.46,;8.83,.69,;8.83,-.85,;7.5,-1.62,;8.21,-.27,;6.73,.13,;2.16,-1.62,;2.16,-3.16,;.83,-3.93,;-.51,-3.16,;-1.84,-3.93,;-.51,-1.62,;.83,-.85,;-1.84,-.85,;-1.84,.69,;-3.3,1.17,;-4.21,-.08,;-5.75,-.08,;-6.52,1.26,;-5.75,2.59,;-6.52,3.93,;-8.06,3.93,;-8.83,2.59,;-8.06,1.26,;-3.3,-1.32,)|
Show InChI InChI=1S/C23H24N4O2S/c28-21-7-6-18(22(29)25-20-15-26-10-8-17(20)9-11-26)14-27(21)23-24-13-19(30-23)12-16-4-2-1-3-5-16/h1-7,13-14,17,20H,8-12,15H2,(H,25,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 300n/an/an/an/a



Yale University



Assay Description
On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...


Bioorg Med Chem 17: 1764-71 (2009)


BindingDB Entry DOI: 10.7270/Q2X92DNB
More data for this
Ligand-Target Pair