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Compile Data Set for Download or QSAR

Found 108 hits from Copenhagen University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254538
PNG
(3-(dimethylamino)butyl methylcarbamate | CHEMBL466...)
Show SMILES CNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C8H18N2O2/c1-7(10(3)4)5-6-12-8(11)9-2/h7H,5-6H2,1-4H3,(H,9,11)
PDB

KEGG

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Article
PubMed
13n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254484
PNG
(3-(dimethylamino)butyl ethylcarbamate | CHEMBL4516...)
Show SMILES CCNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C9H20N2O2/c1-5-10-9(12)13-7-6-8(2)11(3)4/h8H,5-7H2,1-4H3,(H,10,12)
PDB

KEGG

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Article
PubMed
36n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254485
PNG
(3-(dimethylamino)butyl propylcarbamate | CHEMBL466...)
Show SMILES CCCNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C10H22N2O2/c1-5-7-11-10(13)14-8-6-9(2)12(3)4/h9H,5-8H2,1-4H3,(H,11,13)
PDB

KEGG

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Article
PubMed
50n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254543
PNG
(3-(dimethylamino)butyl 3-phenylpropylcarbamate | C...)
Show SMILES CC(CCOC(=O)NCCCc1ccccc1)N(C)C
Show InChI InChI=1S/C16H26N2O2/c1-14(18(2)3)11-13-20-16(19)17-12-7-10-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,17,19)
PDB

KEGG

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PubMed
91n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254482
PNG
(3-(dimethylamino)butyl benzyl(methyl)carbamate | C...)
Show SMILES CC(CCOC(=O)N(C)Cc1ccccc1)N(C)C
Show InChI InChI=1S/C15H24N2O2/c1-13(16(2)3)10-11-19-15(18)17(4)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
PDB

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126n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254486
PNG
(3-(dimethylamino)butyl 2-hydroxyethylcarbamate | C...)
Show SMILES CC(CCOC(=O)NCCO)N(C)C
Show InChI InChI=1S/C9H20N2O3/c1-8(11(2)3)4-7-14-9(13)10-5-6-12/h8,12H,4-7H2,1-3H3,(H,10,13)
PDB

KEGG

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PubMed
200n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254541
PNG
(5-(dimethylamino)-N,N-dimethylhex-2-enamide | CHEM...)
Show SMILES CC(C\C=C\C(=O)N(C)C)N(C)C
Show InChI InChI=1S/C10H20N2O/c1-9(11(2)3)7-6-8-10(13)12(4)5/h6,8-9H,7H2,1-5H3/b8-6+
PDB

KEGG

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Article
PubMed
316n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254482
PNG
(3-(dimethylamino)butyl benzyl(methyl)carbamate | C...)
Show SMILES CC(CCOC(=O)N(C)Cc1ccccc1)N(C)C
Show InChI InChI=1S/C15H24N2O2/c1-13(16(2)3)10-11-19-15(18)17(4)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
PDB

KEGG

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UniChem
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PubMed
398n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254484
PNG
(3-(dimethylamino)butyl ethylcarbamate | CHEMBL4516...)
Show SMILES CCNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C9H20N2O2/c1-5-10-9(12)13-7-6-8(2)11(3)4/h8H,5-7H2,1-4H3,(H,10,12)
PDB

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PubMed
790n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(HUMAN)
BDBM50254482
PNG
(3-(dimethylamino)butyl benzyl(methyl)carbamate | C...)
Show SMILES CC(CCOC(=O)N(C)Cc1ccccc1)N(C)C
Show InChI InChI=1S/C15H24N2O2/c1-13(16(2)3)10-11-19-15(18)17(4)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
Article
PubMed
1.59E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254542
PNG
(CHEMBL468903 | O-3-(dimethylamino)butyl dimethylca...)
Show SMILES CC(CCOC(=S)N(C)C)N(C)C
Show InChI InChI=1S/C9H20N2OS/c1-8(10(2)3)6-7-12-9(13)11(4)5/h8H,6-7H2,1-5H3
PDB

KEGG

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CHEMBL
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PC sid
UniChem
Article
PubMed
1.59E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254543
PNG
(3-(dimethylamino)butyl 3-phenylpropylcarbamate | C...)
Show SMILES CC(CCOC(=O)NCCCc1ccccc1)N(C)C
Show InChI InChI=1S/C16H26N2O2/c1-14(18(2)3)11-13-20-16(19)17-12-7-10-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,17,19)
PDB

KEGG

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PC sid
UniChem
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PubMed
1.59E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254597
PNG
(CHEMBL480797 | S-3-(dimethylamino)butyl dimethylca...)
Show SMILES CC(CCSC(=O)N(C)C)N(C)C
Show InChI InChI=1S/C9H20N2OS/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3
PDB

KEGG

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UniChem
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PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254604
PNG
(3-(dimethylamino)butyl 2-hydroxyethyl(methyl)carba...)
Show SMILES CC(CCOC(=O)N(C)CCO)N(C)C
Show InChI InChI=1S/C10H22N2O3/c1-9(11(2)3)5-8-15-10(14)12(4)6-7-13/h9,13H,5-8H2,1-4H3
PDB

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Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254485
PNG
(3-(dimethylamino)butyl propylcarbamate | CHEMBL466...)
Show SMILES CCCNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C10H22N2O2/c1-5-7-11-10(13)14-8-6-9(2)12(3)4/h9H,5-8H2,1-4H3,(H,11,13)
PDB

KEGG

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Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254483
PNG
(3-(dimethylamino)butyl carbamate | CHEMBL449334)
Show SMILES CC(CCOC(N)=O)N(C)C
Show InChI InChI=1S/C7H16N2O2/c1-6(9(2)3)4-5-11-7(8)10/h6H,4-5H2,1-3H3,(H2,8,10)
PDB

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Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254483
PNG
(3-(dimethylamino)butyl carbamate | CHEMBL449334)
Show SMILES CC(CCOC(N)=O)N(C)C
Show InChI InChI=1S/C7H16N2O2/c1-6(9(2)3)4-5-11-7(8)10/h6H,4-5H2,1-3H3,(H2,8,10)
PDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(HUMAN)
BDBM50254486
PNG
(3-(dimethylamino)butyl 2-hydroxyethylcarbamate | C...)
Show SMILES CC(CCOC(=O)NCCO)N(C)C
Show InChI InChI=1S/C9H20N2O3/c1-8(11(2)3)4-7-14-9(13)10-5-6-12/h8,12H,4-7H2,1-3H3,(H,10,13)
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PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254541
PNG
(5-(dimethylamino)-N,N-dimethylhex-2-enamide | CHEM...)
Show SMILES CC(C\C=C\C(=O)N(C)C)N(C)C
Show InChI InChI=1S/C10H20N2O/c1-9(11(2)3)7-6-8-10(13)12(4)5/h6,8-9H,7H2,1-5H3/b8-6+
PDB

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PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254602
PNG
(3-(dimethylamino)-3-(thiophen-3-yl)propyl dimethyl...)
Show SMILES CN(C)C(CCOC(=O)N(C)C)c1ccsc1
Show InChI InChI=1S/C12H20N2O2S/c1-13(2)11(10-6-8-17-9-10)5-7-16-12(15)14(3)4/h6,8-9,11H,5,7H2,1-4H3
PDB

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PubMed
3.16E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(HUMAN)
BDBM50254483
PNG
(3-(dimethylamino)butyl carbamate | CHEMBL449334)
Show SMILES CC(CCOC(N)=O)N(C)C
Show InChI InChI=1S/C7H16N2O2/c1-6(9(2)3)4-5-11-7(8)10/h6H,4-5H2,1-3H3,(H2,8,10)
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Article
PubMed
3.16E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254605
PNG
(3-(dimethylamino)butyl methyl(phenyl)carbamate | C...)
Show SMILES CC(CCOC(=O)N(C)c1ccccc1)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-12(15(2)3)10-11-18-14(17)16(4)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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PC sid
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Article
PubMed
3.16E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254604
PNG
(3-(dimethylamino)butyl 2-hydroxyethyl(methyl)carba...)
Show SMILES CC(CCOC(=O)N(C)CCO)N(C)C
Show InChI InChI=1S/C10H22N2O3/c1-9(11(2)3)5-8-15-10(14)12(4)6-7-13/h9,13H,5-8H2,1-4H3
PDB

KEGG

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3.98E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254601
PNG
(3-cyclopropyl-3-(dimethylamino)propyl dimethylcarb...)
Show SMILES CN(C)C(CCOC(=O)N(C)C)C1CC1
Show InChI InChI=1S/C11H22N2O2/c1-12(2)10(9-5-6-9)7-8-15-11(14)13(3)4/h9-10H,5-8H2,1-4H3
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3.98E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254600
PNG
(3-(dimethylamino)-4-hydroxybutyl dimethylcarbamate...)
Show SMILES CN(C)C(CO)CCOC(=O)N(C)C
Show InChI InChI=1S/C9H20N2O3/c1-10(2)8(7-12)5-6-14-9(13)11(3)4/h8,12H,5-7H2,1-4H3
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3.98E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254480
PNG
(3-(dimethylamino)butyl 4-chlorophenyl(methyl)carba...)
Show SMILES CC(CCOC(=O)N(C)c1ccc(Cl)cc1)N(C)C
Show InChI InChI=1S/C14H21ClN2O2/c1-11(16(2)3)9-10-19-14(18)17(4)13-7-5-12(15)6-8-13/h5-8,11H,9-10H2,1-4H3
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3.98E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(HUMAN)
BDBM50254542
PNG
(CHEMBL468903 | O-3-(dimethylamino)butyl dimethylca...)
Show SMILES CC(CCOC(=S)N(C)C)N(C)C
Show InChI InChI=1S/C9H20N2OS/c1-8(10(2)3)6-7-12-9(13)11(4)5/h8H,6-7H2,1-5H3
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5.01E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(HUMAN)
BDBM50254485
PNG
(3-(dimethylamino)butyl propylcarbamate | CHEMBL466...)
Show SMILES CCCNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C10H22N2O2/c1-5-7-11-10(13)14-8-6-9(2)12(3)4/h9H,5-8H2,1-4H3,(H,11,13)
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5.01E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254540
PNG
(5-(dimethylamino)-N-methylhex-2-enamide | CHEMBL50...)
Show SMILES CNC(=O)\C=C\CC(C)N(C)C
Show InChI InChI=1S/C9H18N2O/c1-8(11(3)4)6-5-7-9(12)10-2/h5,7-8H,6H2,1-4H3,(H,10,12)/b7-5+
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5.01E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(HUMAN)
BDBM50254541
PNG
(5-(dimethylamino)-N,N-dimethylhex-2-enamide | CHEM...)
Show SMILES CC(C\C=C\C(=O)N(C)C)N(C)C
Show InChI InChI=1S/C10H20N2O/c1-9(11(2)3)7-6-8-10(13)12(4)5/h6,8-9H,7H2,1-5H3/b8-6+
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6.30E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254603
PNG
(3-(dimethylamino)-3-phenylpropyl dimethylcarbamate...)
Show SMILES CN(C)C(CCOC(=O)N(C)C)c1ccccc1
Show InChI InChI=1S/C14H22N2O2/c1-15(2)13(12-8-6-5-7-9-12)10-11-18-14(17)16(3)4/h5-9,13H,10-11H2,1-4H3
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6.31E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254540
PNG
(5-(dimethylamino)-N-methylhex-2-enamide | CHEMBL50...)
Show SMILES CNC(=O)\C=C\CC(C)N(C)C
Show InChI InChI=1S/C9H18N2O/c1-8(11(3)4)6-5-7-9(12)10-2/h5,7-8H,6H2,1-4H3,(H,10,12)/b7-5+
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6.31E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254542
PNG
(CHEMBL468903 | O-3-(dimethylamino)butyl dimethylca...)
Show SMILES CC(CCOC(=S)N(C)C)N(C)C
Show InChI InChI=1S/C9H20N2OS/c1-8(10(2)3)6-7-12-9(13)11(4)5/h8H,6-7H2,1-5H3
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6.31E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254601
PNG
(3-cyclopropyl-3-(dimethylamino)propyl dimethylcarb...)
Show SMILES CN(C)C(CCOC(=O)N(C)C)C1CC1
Show InChI InChI=1S/C11H22N2O2/c1-12(2)10(9-5-6-9)7-8-15-11(14)13(3)4/h9-10H,5-8H2,1-4H3
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6.31E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254486
PNG
(3-(dimethylamino)butyl 2-hydroxyethylcarbamate | C...)
Show SMILES CC(CCOC(=O)NCCO)N(C)C
Show InChI InChI=1S/C9H20N2O3/c1-8(11(2)3)4-7-14-9(13)10-5-6-12/h8,12H,4-7H2,1-3H3,(H,10,13)
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7.94E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254605
PNG
(3-(dimethylamino)butyl methyl(phenyl)carbamate | C...)
Show SMILES CC(CCOC(=O)N(C)c1ccccc1)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-12(15(2)3)10-11-18-14(17)16(4)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
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1.00E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254481
PNG
(3-(dimethylamino)butyl 4-cyanophenyl(methyl)carbam...)
Show SMILES CC(CCOC(=O)N(C)c1ccc(cc1)C#N)N(C)C
Show InChI InChI=1S/C15H21N3O2/c1-12(17(2)3)9-10-20-15(19)18(4)14-7-5-13(11-16)6-8-14/h5-8,12H,9-10H2,1-4H3
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1.00E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254539
PNG
(5-(dimethylamino)-N,N-dimethylhexanamide | CHEMBL4...)
Show SMILES CC(CCCC(=O)N(C)C)N(C)C
Show InChI InChI=1S/C10H22N2O/c1-9(11(2)3)7-6-8-10(13)12(4)5/h9H,6-8H2,1-5H3
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1.00E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254480
PNG
(3-(dimethylamino)butyl 4-chlorophenyl(methyl)carba...)
Show SMILES CC(CCOC(=O)N(C)c1ccc(Cl)cc1)N(C)C
Show InChI InChI=1S/C14H21ClN2O2/c1-11(16(2)3)9-10-19-14(18)17(4)13-7-5-12(15)6-8-13/h5-8,11H,9-10H2,1-4H3
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1.26E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(HUMAN)
BDBM50254484
PNG
(3-(dimethylamino)butyl ethylcarbamate | CHEMBL4516...)
Show SMILES CCNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C9H20N2O2/c1-5-10-9(12)13-7-6-8(2)11(3)4/h8H,5-7H2,1-4H3,(H,10,12)
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1.26E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(HUMAN)
BDBM50254605
PNG
(3-(dimethylamino)butyl methyl(phenyl)carbamate | C...)
Show SMILES CC(CCOC(=O)N(C)c1ccccc1)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-12(15(2)3)10-11-18-14(17)16(4)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
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1.26E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(HUMAN)
BDBM50254480
PNG
(3-(dimethylamino)butyl 4-chlorophenyl(methyl)carba...)
Show SMILES CC(CCOC(=O)N(C)c1ccc(Cl)cc1)N(C)C
Show InChI InChI=1S/C14H21ClN2O2/c1-11(16(2)3)9-10-19-14(18)17(4)13-7-5-12(15)6-8-13/h5-8,11H,9-10H2,1-4H3
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1.26E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(HUMAN)
BDBM50254604
PNG
(3-(dimethylamino)butyl 2-hydroxyethyl(methyl)carba...)
Show SMILES CC(CCOC(=O)N(C)CCO)N(C)C
Show InChI InChI=1S/C10H22N2O3/c1-9(11(2)3)5-8-15-10(14)12(4)6-7-13/h9,13H,5-8H2,1-4H3
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1.58E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254600
PNG
(3-(dimethylamino)-4-hydroxybutyl dimethylcarbamate...)
Show SMILES CN(C)C(CO)CCOC(=O)N(C)C
Show InChI InChI=1S/C9H20N2O3/c1-10(2)8(7-12)5-6-14-9(13)11(3)4/h8,12H,5-7H2,1-4H3
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2.00E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254597
PNG
(CHEMBL480797 | S-3-(dimethylamino)butyl dimethylca...)
Show SMILES CC(CCSC(=O)N(C)C)N(C)C
Show InChI InChI=1S/C9H20N2OS/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3
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2.00E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(HUMAN)
BDBM50254481
PNG
(3-(dimethylamino)butyl 4-cyanophenyl(methyl)carbam...)
Show SMILES CC(CCOC(=O)N(C)c1ccc(cc1)C#N)N(C)C
Show InChI InChI=1S/C15H21N3O2/c1-12(17(2)3)9-10-20-15(19)18(4)14-7-5-13(11-16)6-8-14/h5-8,12H,9-10H2,1-4H3
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Article
PubMed
2.50E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(HUMAN)
BDBM50254540
PNG
(5-(dimethylamino)-N-methylhex-2-enamide | CHEMBL50...)
Show SMILES CNC(=O)\C=C\CC(C)N(C)C
Show InChI InChI=1S/C9H18N2O/c1-8(11(3)4)6-5-7-9(12)10-2/h5,7-8H,6H2,1-4H3,(H,10,12)/b7-5+
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UniChem

Similars

Article
PubMed
2.51E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254481
PNG
(3-(dimethylamino)butyl 4-cyanophenyl(methyl)carbam...)
Show SMILES CC(CCOC(=O)N(C)c1ccc(cc1)C#N)N(C)C
Show InChI InChI=1S/C15H21N3O2/c1-12(17(2)3)9-10-20-15(19)18(4)14-7-5-13(11-16)6-8-14/h5-8,12H,9-10H2,1-4H3
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KEGG

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UniChem

Similars

Article
PubMed
2.51E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50254603
PNG
(3-(dimethylamino)-3-phenylpropyl dimethylcarbamate...)
Show SMILES CN(C)C(CCOC(=O)N(C)C)c1ccccc1
Show InChI InChI=1S/C14H22N2O2/c1-15(2)13(12-8-6-5-7-9-12)10-11-18-14(17)16(3)4/h5-9,13H,10-11H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.50E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(HUMAN)
BDBM50254603
PNG
(3-(dimethylamino)-3-phenylpropyl dimethylcarbamate...)
Show SMILES CN(C)C(CCOC(=O)N(C)C)c1ccccc1
Show InChI InChI=1S/C14H22N2O2/c1-15(2)13(12-8-6-5-7-9-12)10-11-18-14(17)16(3)4/h5-9,13H,10-11H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.50E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
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