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PubMed code 26840365

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50147161
PNG
(CHEMBL3764496)
Show SMILES Cl.C1CN2CCC1N(CC2)c1ccc2cccnc2c1 |(5.65,-.25,;-4.72,1.34,;-4.17,2.38,;-5.19,3.67,;-6.16,2.18,;-5.55,.47,;-3.92,,;-2.74,.92,;-2.56,2.65,;-3.5,3.77,;-1.28,.1,;-.01,.99,;1.4,.33,;1.54,-1.2,;2.94,-1.84,;3.08,-3.38,;1.82,-4.27,;.42,-3.62,;.28,-2.09,;-1.12,-1.44,)|
Show InChI InChI=1S/C16H19N3.ClH/c1-2-13-3-4-15(12-16(13)17-7-1)19-11-10-18-8-5-14(19)6-9-18;/h1-4,7,12,14H,5-6,8-11H2;1H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.09E+3n/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 receptor expressed in mouse Neuro2a cells assessed as induction of intracellular calcium level preincubated with PNU...

Eur J Med Chem 110: 246-58 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J1051F
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50147162
PNG
(CHEMBL3765305)
Show SMILES Cl.O=C(NC1CN2CCC1CC2)c1ccc2cccnc2c1 |(5.24,2.37,;-5.09,.93,;-4.02,1.54,;-4.02,3.09,;-5.35,3.86,;-6.74,3.03,;-8.14,3.83,;-8.15,5.45,;-6.74,6.28,;-5.33,5.49,;-6.05,4.41,;-7.16,5.01,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,)|
Show InChI InChI=1S/C17H19N3O.ClH/c21-17(19-16-11-20-8-5-13(16)6-9-20)14-4-3-12-2-1-7-18-15(12)10-14;/h1-4,7,10,13,16H,5-6,8-9,11H2,(H,19,21);1H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.57E+3n/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 receptor expressed in mouse Neuro2a cells assessed as induction of intracellular calcium level preincubated with PNU...

Eur J Med Chem 110: 246-58 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J1051F
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50147160
PNG
(CHEMBL3763220)
Show SMILES Cl.C1CN2CCC1N(CC2)c1ccc2ncccc2c1 |(6.77,.85,;-4.72,1.34,;-4.17,2.38,;-5.19,3.67,;-6.16,2.18,;-5.55,.47,;-3.92,,;-2.74,.92,;-2.56,2.65,;-3.5,3.77,;-1.28,.1,;-1.13,-1.43,;.29,-2.07,;1.55,-1.18,;2.95,-1.82,;4.2,-.93,;4.06,.6,;2.66,1.24,;1.4,.35,;0,1,)|
Show InChI InChI=1S/C16H19N3.ClH/c1-2-13-12-15(3-4-16(13)17-7-1)19-11-10-18-8-5-14(19)6-9-18;/h1-4,7,12,14H,5-6,8-11H2;1H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.41E+3n/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 receptor expressed in mouse Neuro2a cells assessed as induction of intracellular calcium level preincubated with PNU...

Eur J Med Chem 110: 246-58 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J1051F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%