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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: P30532   
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 subunit alpha-4/alpha-5/beta-2


(Homo sapiens (Human))
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
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n/an/a 11n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/alpha-5/beta-2


(Homo sapiens (Human))
BDBM50433569
PNG
(CHEMBL2381563)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C13H16ClNO2/c1-15-8-2-3-12(15)9-17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/alpha-5/beta-2


(Homo sapiens (Human))
BDBM50433566
PNG
(CHEMBL2381566)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1
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n/an/a 1.78E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/alpha-5/beta-2


(Homo sapiens (Human))
BDBM50433572
PNG
(CHEMBL2381568)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)10-16-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
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PubMed
n/an/a 5.23E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/alpha-5/beta-2


(Homo sapiens (Human))
BDBM50433573
PNG
(CHEMBL2381570)
Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(N)c1 |r|
Show InChI InChI=1S/C13H18N2O2/c1-15-7-3-6-12(15)9-17-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,14H2,1H3/t12-/m0/s1
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Article
PubMed
n/an/a 4.80E+5n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair