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PubMed code 22243960

Compile data set for download or QSAR
Found 88 hits of Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50080818
PNG
((-)-lobeline | 2-(6-(2-Hydroxy-2-phenylethyl)-1-me...)
Show SMILES CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1
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PubMed
2.51n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50080818
PNG
((-)-lobeline | 2-(6-(2-Hydroxy-2-phenylethyl)-1-me...)
Show SMILES CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1
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5.01n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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12.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419742
PNG
(CHEMBL1947055)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C23H28NO2/c1-24(15-14-18-8-4-2-5-9-18)20-12-13-21(24)17-22(16-20)26-23(25)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3/q+1/t20-,21+,22+,24?
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31.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419732
PNG
(CHEMBL1947053)
Show SMILES O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-22(18-9-5-2-6-10-18)25-21-15-19-11-12-20(16-21)23(19)14-13-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2/t19-,20+,21+
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31.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419740
PNG
(CHEMBL1946189)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C31H36NO/c1-32(20-19-23-9-3-2-4-10-23)26-17-18-27(32)22-28(21-26)33-31-29-13-7-5-11-24(29)15-16-25-12-6-8-14-30(25)31/h2-14,26-28,31H,15-22H2,1H3/q+1/t26-,27+,28+,32?
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39.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419732
PNG
(CHEMBL1947053)
Show SMILES O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-22(18-9-5-2-6-10-18)25-21-15-19-11-12-20(16-21)23(19)14-13-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2/t19-,20+,21+
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79.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419749
PNG
(CHEMBL1947058)
Show SMILES O[C@@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO3/c24-21(16-7-3-1-4-8-16)15-23-18-11-12-19(23)14-20(13-18)26-22(25)17-9-5-2-6-10-17/h1-10,18-21,24H,11-15H2/t18-,19+,20+,21-/m0/s1
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100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419746
PNG
(CHEMBL1946188)
Show SMILES C(Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C30H33NO/c1-2-8-22(9-3-1)18-19-31-25-16-17-26(31)21-27(20-25)32-30-28-12-6-4-10-23(28)14-15-24-11-5-7-13-29(24)30/h1-13,25-27,30H,14-21H2/t25-,26+,27+
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100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419738
PNG
(CHEMBL1947206)
Show SMILES Oc1cccc(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H25NO3/c24-20-8-4-5-16(13-20)11-12-23-18-9-10-19(23)15-21(14-18)26-22(25)17-6-2-1-3-7-17/h1-8,13,18-19,21,24H,9-12,14-15H2/t18-,19+,21+
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100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419750
PNG
(CHEMBL1947060)
Show SMILES C[N+]1(C[C@H](O)c2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C23H28NO3/c1-24(16-22(25)17-8-4-2-5-9-17)19-12-13-20(24)15-21(14-19)27-23(26)18-10-6-3-7-11-18/h2-11,19-22,25H,12-16H2,1H3/q+1/t19-,20+,21+,22-,24?/m0/s1
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126n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419735
PNG
(CHEMBL1947059)
Show SMILES C[N+]1(CC(O)c2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C23H28NO3/c1-24(16-22(25)17-8-4-2-5-9-17)19-12-13-20(24)15-21(14-19)27-23(26)18-10-6-3-7-11-18/h2-11,19-22,25H,12-16H2,1H3/q+1/t19-,20+,21+,22?,24?
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126n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419742
PNG
(CHEMBL1947055)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C23H28NO2/c1-24(15-14-18-8-4-2-5-9-18)20-12-13-21(24)17-22(16-20)26-23(25)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3/q+1/t20-,21+,22+,24?
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158n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419734
PNG
(CHEMBL1947056)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO3/c24-21(16-7-3-1-4-8-16)15-23-18-11-12-19(23)14-20(13-18)26-22(25)17-9-5-2-6-10-17/h1-10,18-21,24H,11-15H2/t18-,19+,20+,21?
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158n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419738
PNG
(CHEMBL1947206)
Show SMILES Oc1cccc(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H25NO3/c24-20-8-4-5-16(13-20)11-12-23-18-9-10-19(23)15-21(14-18)26-22(25)17-6-2-1-3-7-17/h1-8,13,18-19,21,24H,9-12,14-15H2/t18-,19+,21+
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200n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419745
PNG
(CHEMBL1794606)
Show SMILES C(N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C29H31NO/c1-2-8-21(9-3-1)20-30-24-16-17-25(30)19-26(18-24)31-29-27-12-6-4-10-22(27)14-15-23-11-5-7-13-28(23)29/h1-13,24-26,29H,14-20H2/t24-,25+,26+
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251n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419739
PNG
(CHEMBL1946187)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1/t19-,20+,21+
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316n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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316n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419737
PNG
(CHEMBL1947062)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C22H25NO5/c24-18-8-15(9-19(25)12-18)21(26)13-23-16-6-7-17(23)11-20(10-16)28-22(27)14-4-2-1-3-5-14/h1-5,8-9,12,16-17,20-21,24-26H,6-7,10-11,13H2/t16-,17+,20+,21?
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398n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419733
PNG
(CHEMBL1947054)
Show SMILES O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-22(18-9-5-2-6-10-18)25-21-15-19-11-12-20(16-21)23(19)14-13-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2/t19-,20+,21-
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398n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419734
PNG
(CHEMBL1947056)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO3/c24-21(16-7-3-1-4-8-16)15-23-18-11-12-19(23)14-20(13-18)26-22(25)17-9-5-2-6-10-17/h1-10,18-21,24H,11-15H2/t18-,19+,20+,21?
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631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419736
PNG
(CHEMBL1947061)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C22H25NO4/c24-19-8-4-7-16(11-19)21(25)14-23-17-9-10-18(23)13-20(12-17)27-22(26)15-5-2-1-3-6-15/h1-8,11,17-18,20-21,24-25H,9-10,12-14H2/t17-,18+,20+,21?
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631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50080818
PNG
((-)-lobeline | 2-(6-(2-Hydroxy-2-phenylethyl)-1-me...)
Show SMILES CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1
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631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419740
PNG
(CHEMBL1946189)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C31H36NO/c1-32(20-19-23-9-3-2-4-10-23)26-17-18-27(32)22-28(21-26)33-31-29-13-7-5-11-24(29)15-16-25-12-6-8-14-30(25)31/h2-14,26-28,31H,15-22H2,1H3/q+1/t26-,27+,28+,32?
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631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419750
PNG
(CHEMBL1947060)
Show SMILES C[N+]1(C[C@H](O)c2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C23H28NO3/c1-24(16-22(25)17-8-4-2-5-9-17)19-12-13-20(24)15-21(14-19)27-23(26)18-10-6-3-7-11-18/h2-11,19-22,25H,12-16H2,1H3/q+1/t19-,20+,21+,22-,24?/m0/s1
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419748
PNG
(CHEMBL1947057)
Show SMILES O[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO3/c24-21(16-7-3-1-4-8-16)15-23-18-11-12-19(23)14-20(13-18)26-22(25)17-9-5-2-6-10-17/h1-10,18-21,24H,11-15H2/t18-,19+,20+,21-/m1/s1
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419730
PNG
(CHEMBL1947049)
Show SMILES O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1
Show InChI InChI=1S/C14H17NO2/c16-14(10-4-2-1-3-5-10)17-13-8-11-6-7-12(9-13)15-11/h1-5,11-13,15H,6-9H2/t11-,12+,13+
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419749
PNG
(CHEMBL1947058)
Show SMILES O[C@@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO3/c24-21(16-7-3-1-4-8-16)15-23-18-11-12-19(23)14-20(13-18)26-22(25)17-9-5-2-6-10-17/h1-10,18-21,24H,11-15H2/t18-,19+,20+,21-/m0/s1
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419736
PNG
(CHEMBL1947061)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C22H25NO4/c24-19-8-4-7-16(11-19)21(25)14-23-17-9-10-18(23)13-20(12-17)27-22(26)15-5-2-1-3-6-15/h1-8,11,17-18,20-21,24-25H,9-10,12-14H2/t17-,18+,20+,21?
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419733
PNG
(CHEMBL1947054)
Show SMILES O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-22(18-9-5-2-6-10-18)25-21-15-19-11-12-20(16-21)23(19)14-13-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2/t19-,20+,21-
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1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419739
PNG
(CHEMBL1946187)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1/t19-,20+,21+
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1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419739
PNG
(CHEMBL1946187)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1/t19-,20+,21+
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1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419744
PNG
(CHEMBL1946185)
Show SMILES C1C[C@@H]2C[C@@H](C[C@H]1N2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C22H25NO/c1-3-7-20-15(5-1)9-10-16-6-2-4-8-21(16)22(20)24-19-13-17-11-12-18(14-19)23-17/h1-8,17-19,22-23H,9-14H2/t17-,18+,19+
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1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419748
PNG
(CHEMBL1947057)
Show SMILES O[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO3/c24-21(16-7-3-1-4-8-16)15-23-18-11-12-19(23)14-20(13-18)26-22(25)17-9-5-2-6-10-17/h1-10,18-21,24H,11-15H2/t18-,19+,20+,21-/m1/s1
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1.26E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419740
PNG
(CHEMBL1946189)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C31H36NO/c1-32(20-19-23-9-3-2-4-10-23)26-17-18-27(32)22-28(21-26)33-31-29-13-7-5-11-24(29)15-16-25-12-6-8-14-30(25)31/h2-14,26-28,31H,15-22H2,1H3/q+1/t26-,27+,28+,32?
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1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419751
PNG
(DEPTROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/t18-,19+,20+
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2.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419743
PNG
(CHEMBL1947205)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C22H25NO5/c24-18-8-15(9-19(25)12-18)21(26)13-23-16-6-7-17(23)11-20(10-16)28-22(27)14-4-2-1-3-5-14/h1-5,8-9,12,16-17,20-21,24-26H,6-7,10-11,13H2/t16-,17+,20-,21?
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2.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419753
PNG
(CHEMBL1947047)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C30H33NO2/c32-29(23-10-2-1-3-11-23)20-31-24-16-17-25(31)19-26(18-24)33-30-27-12-6-4-8-21(27)14-15-22-9-5-7-13-28(22)30/h1-13,24-26,29-30,32H,14-20H2/t24-,25+,26+,29?
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2.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419741
PNG
(CHEMBL1947048)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1cccc(O)c1
Show InChI InChI=1S/C30H33NO3/c32-25-9-5-8-22(16-25)29(33)19-31-23-14-15-24(31)18-26(17-23)34-30-27-10-3-1-6-20(27)12-13-21-7-2-4-11-28(21)30/h1-11,16,23-24,26,29-30,32-33H,12-15,17-19H2/t23-,24+,26+,29?
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2.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419735
PNG
(CHEMBL1947059)
Show SMILES C[N+]1(CC(O)c2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C23H28NO3/c1-24(16-22(25)17-8-4-2-5-9-17)19-12-13-20(24)15-21(14-19)27-23(26)18-10-6-3-7-11-18/h2-11,19-22,25H,12-16H2,1H3/q+1/t19-,20+,21+,22?,24?
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2.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419731
PNG
(CHEMBL1947051)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14+
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2.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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2.51E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419730
PNG
(CHEMBL1947049)
Show SMILES O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1
Show InChI InChI=1S/C14H17NO2/c16-14(10-4-2-1-3-5-10)17-13-8-11-6-7-12(9-13)15-11/h1-5,11-13,15H,6-9H2/t11-,12+,13+
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3.16E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419731
PNG
(CHEMBL1947051)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14+
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3.98E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419730
PNG
(CHEMBL1947049)
Show SMILES O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1
Show InChI InChI=1S/C14H17NO2/c16-14(10-4-2-1-3-5-10)17-13-8-11-6-7-12(9-13)15-11/h1-5,11-13,15H,6-9H2/t11-,12+,13+
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5.01E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419733
PNG
(CHEMBL1947054)
Show SMILES O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-22(18-9-5-2-6-10-18)25-21-15-19-11-12-20(16-21)23(19)14-13-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2/t19-,20+,21-
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5.01E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419751
PNG
(DEPTROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/t18-,19+,20+
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6.31E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419742
PNG
(CHEMBL1947055)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C23H28NO2/c1-24(15-14-18-8-4-2-5-9-18)20-12-13-21(24)17-22(16-20)26-23(25)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3/q+1/t20-,21+,22+,24?
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6.31E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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6.31E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419737
PNG
(CHEMBL1947062)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C22H25NO5/c24-18-8-15(9-19(25)12-18)21(26)13-23-16-6-7-17(23)11-20(10-16)28-22(27)14-4-2-1-3-5-14/h1-5,8-9,12,16-17,20-21,24-26H,6-7,10-11,13H2/t16-,17+,20+,21?
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7.94E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50080818
PNG
((-)-lobeline | 2-(6-(2-Hydroxy-2-phenylethyl)-1-me...)
Show SMILES CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1
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7.94E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419732
PNG
(CHEMBL1947053)
Show SMILES O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-22(18-9-5-2-6-10-18)25-21-15-19-11-12-20(16-21)23(19)14-13-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2/t19-,20+,21+
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7.94E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419752
PNG
(CHEMBL1947050)
Show SMILES O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1
Show InChI InChI=1S/C14H17NO2/c16-14(10-4-2-1-3-5-10)17-13-8-11-6-7-12(9-13)15-11/h1-5,11-13,15H,6-9H2/t11-,12+,13-
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7.94E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419746
PNG
(CHEMBL1946188)
Show SMILES C(Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C30H33NO/c1-2-8-22(9-3-1)18-19-31-25-16-17-26(31)21-27(20-25)32-30-28-12-6-4-10-23(28)14-15-24-11-5-7-13-29(24)30/h1-13,25-27,30H,14-21H2/t25-,26+,27+
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1.00E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419744
PNG
(CHEMBL1946185)
Show SMILES C1C[C@@H]2C[C@@H](C[C@H]1N2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C22H25NO/c1-3-7-20-15(5-1)9-10-16-6-2-4-8-21(16)22(20)24-19-13-17-11-12-18(14-19)23-17/h1-8,17-19,22-23H,9-14H2/t17-,18+,19+
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1.00E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419745
PNG
(CHEMBL1794606)
Show SMILES C(N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C29H31NO/c1-2-8-21(9-3-1)20-30-24-16-17-25(30)19-26(18-24)31-29-27-12-6-4-10-22(27)14-15-23-11-5-7-13-28(23)29/h1-13,24-26,29H,14-20H2/t24-,25+,26+
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1.00E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419735
PNG
(CHEMBL1947059)
Show SMILES C[N+]1(CC(O)c2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C23H28NO3/c1-24(16-22(25)17-8-4-2-5-9-17)19-12-13-20(24)15-21(14-19)27-23(26)18-10-6-3-7-11-18/h2-11,19-22,25H,12-16H2,1H3/q+1/t19-,20+,21+,22?,24?
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1.00E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419738
PNG
(CHEMBL1947206)
Show SMILES Oc1cccc(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H25NO3/c24-20-8-4-5-16(13-20)11-12-23-18-9-10-19(23)15-21(14-18)26-22(25)17-6-2-1-3-7-17/h1-8,13,18-19,21,24H,9-12,14-15H2/t18-,19+,21+
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1.26E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419746
PNG
(CHEMBL1946188)
Show SMILES C(Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C30H33NO/c1-2-8-22(9-3-1)18-19-31-25-16-17-26(31)21-27(20-25)32-30-28-12-6-4-10-23(28)14-15-24-11-5-7-13-29(24)30/h1-13,25-27,30H,14-21H2/t25-,26+,27+
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1.26E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419743
PNG
(CHEMBL1947205)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C22H25NO5/c24-18-8-15(9-19(25)12-18)21(26)13-23-16-6-7-17(23)11-20(10-16)28-22(27)14-4-2-1-3-5-14/h1-5,8-9,12,16-17,20-21,24-26H,6-7,10-11,13H2/t16-,17+,20-,21?
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1.26E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419734
PNG
(CHEMBL1947056)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO3/c24-21(16-7-3-1-4-8-16)15-23-18-11-12-19(23)14-20(13-18)26-22(25)17-9-5-2-6-10-17/h1-10,18-21,24H,11-15H2/t18-,19+,20+,21?
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1.26E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419753
PNG
(CHEMBL1947047)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C30H33NO2/c32-29(23-10-2-1-3-11-23)20-31-24-16-17-25(31)19-26(18-24)33-30-27-12-6-4-8-21(27)14-15-22-9-5-7-13-28(22)30/h1-13,24-26,29-30,32H,14-20H2/t24-,25+,26+,29?
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1.26E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419747
PNG
(CHEMBL1947052)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-
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1.58E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419731
PNG
(CHEMBL1947051)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14+
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1.58E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419737
PNG
(CHEMBL1947062)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C22H25NO5/c24-18-8-15(9-19(25)12-18)21(26)13-23-16-6-7-17(23)11-20(10-16)28-22(27)14-4-2-1-3-5-14/h1-5,8-9,12,16-17,20-21,24-26H,6-7,10-11,13H2/t16-,17+,20+,21?
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1.58E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419752
PNG
(CHEMBL1947050)
Show SMILES O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1
Show InChI InChI=1S/C14H17NO2/c16-14(10-4-2-1-3-5-10)17-13-8-11-6-7-12(9-13)15-11/h1-5,11-13,15H,6-9H2/t11-,12+,13-
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1.58E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419743
PNG
(CHEMBL1947205)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C22H25NO5/c24-18-8-15(9-19(25)12-18)21(26)13-23-16-6-7-17(23)11-20(10-16)28-22(27)14-4-2-1-3-5-14/h1-5,8-9,12,16-17,20-21,24-26H,6-7,10-11,13H2/t16-,17+,20-,21?
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2.00E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419753
PNG
(CHEMBL1947047)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C30H33NO2/c32-29(23-10-2-1-3-11-23)20-31-24-16-17-25(31)19-26(18-24)33-30-27-12-6-4-8-21(27)14-15-22-9-5-7-13-28(22)30/h1-13,24-26,29-30,32H,14-20H2/t24-,25+,26+,29?
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2.00E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419736
PNG
(CHEMBL1947061)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C22H25NO4/c24-19-8-4-7-16(11-19)21(25)14-23-17-9-10-18(23)13-20(12-17)27-22(26)15-5-2-1-3-6-15/h1-8,11,17-18,20-21,24-25H,9-10,12-14H2/t17-,18+,20+,21?
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2.51E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419731
PNG
(CHEMBL1947051)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14+
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419737
PNG
(CHEMBL1947062)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C22H25NO5/c24-18-8-15(9-19(25)12-18)21(26)13-23-16-6-7-17(23)11-20(10-16)28-22(27)14-4-2-1-3-5-14/h1-5,8-9,12,16-17,20-21,24-26H,6-7,10-11,13H2/t16-,17+,20+,21?
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419734
PNG
(CHEMBL1947056)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO3/c24-21(16-7-3-1-4-8-16)15-23-18-11-12-19(23)14-20(13-18)26-22(25)17-9-5-2-6-10-17/h1-10,18-21,24H,11-15H2/t18-,19+,20+,21?
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419733
PNG
(CHEMBL1947054)
Show SMILES O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-22(18-9-5-2-6-10-18)25-21-15-19-11-12-20(16-21)23(19)14-13-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2/t19-,20+,21-
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419741
PNG
(CHEMBL1947048)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1cccc(O)c1
Show InChI InChI=1S/C30H33NO3/c32-25-9-5-8-22(16-25)29(33)19-31-23-14-15-24(31)18-26(17-23)34-30-27-10-3-1-6-20(27)12-13-21-7-2-4-11-28(21)30/h1-11,16,23-24,26,29-30,32-33H,12-15,17-19H2/t23-,24+,26+,29?
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419739
PNG
(CHEMBL1946187)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1/t19-,20+,21+
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419732
PNG
(CHEMBL1947053)
Show SMILES O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-22(18-9-5-2-6-10-18)25-21-15-19-11-12-20(16-21)23(19)14-13-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2/t19-,20+,21+
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419746
PNG
(CHEMBL1946188)
Show SMILES C(Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C30H33NO/c1-2-8-22(9-3-1)18-19-31-25-16-17-26(31)21-27(20-25)32-30-28-12-6-4-10-23(28)14-15-24-11-5-7-13-29(24)30/h1-13,25-27,30H,14-21H2/t25-,26+,27+
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419736
PNG
(CHEMBL1947061)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C22H25NO4/c24-19-8-4-7-16(11-19)21(25)14-23-17-9-10-18(23)13-20(12-17)27-22(26)15-5-2-1-3-6-15/h1-8,11,17-18,20-21,24-25H,9-10,12-14H2/t17-,18+,20+,21?
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419738
PNG
(CHEMBL1947206)
Show SMILES Oc1cccc(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H25NO3/c24-20-8-4-5-16(13-20)11-12-23-18-9-10-19(23)15-21(14-18)26-22(25)17-6-2-1-3-7-17/h1-8,13,18-19,21,24H,9-12,14-15H2/t18-,19+,21+
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419741
PNG
(CHEMBL1947048)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1cccc(O)c1
Show InChI InChI=1S/C30H33NO3/c32-25-9-5-8-22(16-25)29(33)19-31-23-14-15-24(31)18-26(17-23)34-30-27-10-3-1-6-20(27)12-13-21-7-2-4-11-28(21)30/h1-11,16,23-24,26,29-30,32-33H,12-15,17-19H2/t23-,24+,26+,29?
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3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419735
PNG
(CHEMBL1947059)
Show SMILES C[N+]1(CC(O)c2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C23H28NO3/c1-24(16-22(25)17-8-4-2-5-9-17)19-12-13-20(24)15-21(14-19)27-23(26)18-10-6-3-7-11-18/h2-11,19-22,25H,12-16H2,1H3/q+1/t19-,20+,21+,22?,24?
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419753
PNG
(CHEMBL1947047)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C30H33NO2/c32-29(23-10-2-1-3-11-23)20-31-24-16-17-25(31)19-26(18-24)33-30-27-12-6-4-8-21(27)14-15-22-9-5-7-13-28(22)30/h1-13,24-26,29-30,32H,14-20H2/t24-,25+,26+,29?
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419743
PNG
(CHEMBL1947205)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C22H25NO5/c24-18-8-15(9-19(25)12-18)21(26)13-23-16-6-7-17(23)11-20(10-16)28-22(27)14-4-2-1-3-5-14/h1-5,8-9,12,16-17,20-21,24-26H,6-7,10-11,13H2/t16-,17+,20-,21?
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419730
PNG
(CHEMBL1947049)
Show SMILES O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1
Show InChI InChI=1S/C14H17NO2/c16-14(10-4-2-1-3-5-10)17-13-8-11-6-7-12(9-13)15-11/h1-5,11-13,15H,6-9H2/t11-,12+,13+
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419742
PNG
(CHEMBL1947055)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C23H28NO2/c1-24(15-14-18-8-4-2-5-9-18)20-12-13-21(24)17-22(16-20)26-23(25)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3/q+1/t20-,21+,22+,24?
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419740
PNG
(CHEMBL1946189)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C31H36NO/c1-32(20-19-23-9-3-2-4-10-23)26-17-18-27(32)22-28(21-26)33-31-29-13-7-5-11-24(29)15-16-25-12-6-8-14-30(25)31/h2-14,26-28,31H,15-22H2,1H3/q+1/t26-,27+,28+,32?
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>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50419741
PNG
(CHEMBL1947048)
Show SMILES OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1cccc(O)c1
Show InChI InChI=1S/C30H33NO3/c32-25-9-5-8-22(16-25)29(33)19-31-23-14-15-24(31)18-26(17-23)34-30-27-10-3-1-6-20(27)12-13-21-7-2-4-11-28(21)30/h1-11,16,23-24,26,29-30,32-33H,12-15,17-19H2/t23-,24+,26+,29?
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3.98E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%