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17 similar compounds to monomer 50419732

Wt: 260.3
BDBM80505
Purchase
Wt: 273.3
BDBM50406398
Purchase
Wt: 231.2
BDBM50419730
Wt: 245.3
BDBM50419731
Wt: 335.4
BDBM50419733
Wt: 351.4
BDBM50419734
Wt: 366.4
BDBM50419735
Wt: 367.4
BDBM50419736
Wt: 383.4
BDBM50419737
Wt: 351.4
BDBM50419738
Wt: 350.4
BDBM50419742
Wt: 383.4
BDBM50419743
Wt: 351.4
BDBM50419748
Wt: 351.4
BDBM50419749
Wt: 366.4
BDBM50419750
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 52 hits for monomerid = 80505,50406398,50419730,50419731,50419733,50419734,50419735,50419736,50419737,50419738,50419742,50419743,50419748,50419749,50419750   
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
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)
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)
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)
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


(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


(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)
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)
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)
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)
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


(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)
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)
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)
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)
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)
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)
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)
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


(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
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)
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)
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
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
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)
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))
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


(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))
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))
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
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))
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))
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)
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))
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))
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))
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))
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))
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))
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))
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))
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
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))
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
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM80505
PNG
((8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) be...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H22NO2/c1-17(2)13-8-9-14(17)11-15(10-13)19-16(18)12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3/q+1
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KEGG

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n/an/a 2.96E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens)
BDBM80505
PNG
((8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) be...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H22NO2/c1-17(2)13-8-9-14(17)11-15(10-13)19-16(18)12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3/q+1
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MMDB

KEGG

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n/an/a 1.75E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50406398
PNG
(CHEMBL40883 | MDL-72422)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C17H23NO2/c1-11-6-12(2)8-13(7-11)17(19)20-16-9-14-4-5-15(10-16)18(14)3/h6-8,14-16H,4-5,9-10H2,1-3H3
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n/an/an/an/a 1.58E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)

More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50406398
PNG
(CHEMBL40883 | MDL-72422)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C17H23NO2/c1-11-6-12(2)8-13(7-11)17(19)20-16-9-14-4-5-15(10-16)18(14)3/h6-8,14-16H,4-5,9-10H2,1-3H3
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n/an/an/an/a 1.41E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)

More data for this
Ligand-Target Pair
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