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PubMed code 17067175

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-3


(Rattus norvegicus (Rat))		BDBM50241747
PNG
(3-demethoxy-2alpha,3alpha-methylenedioxyerythrocul...)
Show SMILES COC(=O)c1cc2c(CCN3CCC4=C[C@@H]5OCO[C@@H]5C[C@]234)cc1OC |r,t:13|
Show InChI InChI=1S/C20H23NO5/c1-23-16-7-12-3-5-21-6-4-13-8-17-18(26-11-25-17)10-20(13,21)15(12)9-14(16)19(22)24-2/h7-9,17-18H,3-6,10-11H2,1-2H3/t17-,18+,20-/m0/s1
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n/an/a 7.70E+4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nicotinic receptor expressed in KXalpha3beta4R2 cells assessed as nicotine-induced calcium fluorescence

J Nat Prod 69: 1514-6 (2006)


Article DOI: 10.1021/np060291a
BindingDB Entry DOI: 10.7270/Q2445M85
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))		BDBM50241746
PNG
(15-amido-3-demethoxy-2alpha,3alpha-methylenedioxye...)
Show SMILES COc1cc2CCN3CCC4=C[C@@H]5OCO[C@@H]5C[C@]34c2cc1C(N)=O |r,t:10|
Show InChI InChI=1S/C19H22N2O4/c1-23-15-6-11-2-4-21-5-3-12-7-16-17(25-10-24-16)9-19(12,21)14(11)8-13(15)18(20)22/h6-8,16-17H,2-5,9-10H2,1H3,(H2,20,22)/t16-,17+,19-/m0/s1
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n/an/a 9.40E+4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nicotinic receptor expressed in KXalpha3beta4R2 cells assessed as nicotine-induced calcium fluorescence

J Nat Prod 69: 1514-6 (2006)


Article DOI: 10.1021/np060291a
BindingDB Entry DOI: 10.7270/Q2445M85
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))		BDBM50241748
PNG
(CHEMBL518059 | dihydro-beta-erythroidine)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |r,t:4,11|
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16+/m0/s1
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat alpha3beta4 nicotinic receptor expressed in KXalpha3beta4R2 cells assessed as nicotine-induced 86Rb+ efflux

J Nat Prod 69: 1514-6 (2006)


Article DOI: 10.1021/np060291a
BindingDB Entry DOI: 10.7270/Q2445M85
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%