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PubMed code 26233800

Compile data set for download or QSAR
Found 8 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


(Rattus norvegicus (Rat))
BDBM50116664
PNG
(CHEMBL3608518)
Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C17H19N3O/c1-21-17-5-2-11(10-19-17)12-6-13(9-18-8-12)15-7-14-3-4-16(15)20-14/h2,5-6,8-10,14-16,20H,3-4,7H2,1H3/t14-,15-,16-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...


Bioorg Med Chem 23: 5693-701 (2015)


Article DOI: 10.1016/j.bmc.2015.07.021
BindingDB Entry DOI: 10.7270/Q2W66NKH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50116662
PNG
(CHEMBL243971)
Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@]([H])(C2)c1cncc(c1)-c1ccc(F)nc1 |THB:10:7:2.3:6|
Show InChI InChI=1S/C16H16FN3/c17-16-4-1-10(9-19-16)11-5-12(8-18-7-11)14-6-13-2-3-15(14)20-13/h1,4-5,7-9,13-15,20H,2-3,6H2/t13-,14-,15-/m1/s1
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PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...


Bioorg Med Chem 23: 5693-701 (2015)


Article DOI: 10.1016/j.bmc.2015.07.021
BindingDB Entry DOI: 10.7270/Q2W66NKH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50116663
PNG
(CHEMBL3608516)
Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C16H16ClN3/c17-16-4-1-10(9-19-16)11-5-12(8-18-7-11)14-6-13-2-3-15(14)20-13/h1,4-5,7-9,13-15,20H,2-3,6H2/t13-,14-,15-/m1/s1
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n/an/a 6.60E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...


Bioorg Med Chem 23: 5693-701 (2015)


Article DOI: 10.1016/j.bmc.2015.07.021
BindingDB Entry DOI: 10.7270/Q2W66NKH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50116627
PNG
(CHEMBL3608512)
Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccnc(Cl)c1 |r|
Show InChI InChI=1S/C16H16ClN3/c17-16-6-10(3-4-19-16)11-5-12(9-18-8-11)14-7-13-1-2-15(14)20-13/h3-6,8-9,13-15,20H,1-2,7H2/t13-,14-,15-/m1/s1
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n/an/a 9.70E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...


Bioorg Med Chem 23: 5693-701 (2015)


Article DOI: 10.1016/j.bmc.2015.07.021
BindingDB Entry DOI: 10.7270/Q2W66NKH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50116628
PNG
(CHEMBL3608514)
Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccnc(OC)c1 |r|
Show InChI InChI=1S/C17H19N3O/c1-21-17-7-11(4-5-19-17)12-6-13(10-18-9-12)15-8-14-2-3-16(15)20-14/h4-7,9-10,14-16,20H,2-3,8H2,1H3/t14-,15-,16-/m1/s1
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n/an/a 1.14E+5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...


Bioorg Med Chem 23: 5693-701 (2015)


Article DOI: 10.1016/j.bmc.2015.07.021
BindingDB Entry DOI: 10.7270/Q2W66NKH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50116660
PNG
(CHEMBL3608515)
Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1cccnc1 |r|
Show InChI InChI=1S/C16H17N3/c1-2-11(8-17-5-1)12-6-13(10-18-9-12)15-7-14-3-4-16(15)19-14/h1-2,5-6,8-10,14-16,19H,3-4,7H2/t14-,15-,16-/m1/s1
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n/an/a 1.17E+5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...


Bioorg Med Chem 23: 5693-701 (2015)


Article DOI: 10.1016/j.bmc.2015.07.021
BindingDB Entry DOI: 10.7270/Q2W66NKH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50116625
PNG
(CHEMBL3608510)
Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccncc1 |r|
Show InChI InChI=1S/C16H17N3/c1-2-16-15(8-14(1)19-16)13-7-12(9-18-10-13)11-3-5-17-6-4-11/h3-7,9-10,14-16,19H,1-2,8H2/t14-,15-,16-/m1/s1
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n/an/a 1.79E+5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...


Bioorg Med Chem 23: 5693-701 (2015)


Article DOI: 10.1016/j.bmc.2015.07.021
BindingDB Entry DOI: 10.7270/Q2W66NKH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50116626
PNG
(CHEMBL3608511)
Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccnc(F)c1 |r|
Show InChI InChI=1S/C16H16FN3/c17-16-6-10(3-4-19-16)11-5-12(9-18-8-11)14-7-13-1-2-15(14)20-13/h3-6,8-9,13-15,20H,1-2,7H2/t13-,14-,15-/m1/s1
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n/an/a 2.33E+5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...


Bioorg Med Chem 23: 5693-701 (2015)


Article DOI: 10.1016/j.bmc.2015.07.021
BindingDB Entry DOI: 10.7270/Q2W66NKH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%