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3 similar compounds to monomer 50397944

Compile data set for download or QSAR
Wt: 203.2
BDBM50257943Purchase		Wt: 189.2
BDBM50279369Purchase		Wt: 203.2
BDBM50279370

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50257943,50279369,50279370   
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


(Rattus norvegicus (Rat))		BDBM50279369
PNG
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
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 0.120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane

J Med Chem 52: 4126-41 (2009)


Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))		BDBM50279369
PNG
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
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 0.126n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane

J Med Chem 54: 7678-92 (2011)


BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))		BDBM50279369
PNG
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
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 0.130n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane

J Med Chem 54: 7678-92 (2011)


BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))		BDBM50279370
PNG
(CHEMBL484154 | cis-2-Methyl-5-(3-pyridinyl)octahyd...)
Show SMILES CN1C[C@H]2CN(C[C@H]2C1)c1cccnc1
Show InChI InChI=1S/C12H17N3/c1-14-6-10-8-15(9-11(10)7-14)12-3-2-4-13-5-12/h2-5,10-11H,6-9H2,1H3/t10-,11+
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 26n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane

J Med Chem 52: 4126-41 (2009)


Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))		BDBM50279369
PNG
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
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 51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane

J Med Chem 52: 4126-41 (2009)


Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))		BDBM50257943
PNG
(2-(pyridin-3-yl)-2,7-diazaspiro[4.4]nonane | CHEMB...)
Show SMILES C1CC2(CCN(C2)c2cccnc2)CN1
Show InChI InChI=1S/C12H17N3/c1-2-11(8-13-5-1)15-7-4-12(10-15)3-6-14-9-12/h1-2,5,8,14H,3-4,6-7,9-10H2
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 74n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane

Bioorg Med Chem Lett 19: 1682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.099
BindingDB Entry DOI: 10.7270/Q2HD7VJK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))		BDBM50279370
PNG
(CHEMBL484154 | cis-2-Methyl-5-(3-pyridinyl)octahyd...)
Show SMILES CN1C[C@H]2CN(C[C@H]2C1)c1cccnc1
Show InChI InChI=1S/C12H17N3/c1-14-6-10-8-15(9-11(10)7-14)12-3-2-4-13-5-12/h2-5,10-11H,6-9H2,1H3/t10-,11+
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 1.59E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane

J Med Chem 52: 4126-41 (2009)


Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))		BDBM50279369
PNG
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
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n/an/an/an/a 18n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay

J Med Chem 54: 7678-92 (2011)


BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))		BDBM50279369
PNG
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
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n/an/an/an/a 4.47E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha7 nicotinic acetylcholine receptor expressed in xenopus laevis oocytes by parallel oocyte electrophysiolog...

J Med Chem 52: 4126-41 (2009)


Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))		BDBM50279369
PNG
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
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n/an/an/an/a 40n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha4beta2 nicotinic acetylcholine receptor expressed in HEK293 cells assessed as changes in intracellular cal...

J Med Chem 52: 4126-41 (2009)


Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))		BDBM50257943
PNG
(2-(pyridin-3-yl)-2,7-diazaspiro[4.4]nonane | CHEMB...)
Show SMILES C1CC2(CCN(C2)c2cccnc2)CN1
Show InChI InChI=1S/C12H17N3/c1-2-11(8-13-5-1)15-7-4-12(10-15)3-6-14-9-12/h1-2,5,8,14H,3-4,6-7,9-10H2
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n/an/an/an/a>1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay

Bioorg Med Chem Lett 19: 1682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.099
BindingDB Entry DOI: 10.7270/Q2HD7VJK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))		BDBM50257943
PNG
(2-(pyridin-3-yl)-2,7-diazaspiro[4.4]nonane | CHEMB...)
Show SMILES C1CC2(CCN(C2)c2cccnc2)CN1
Show InChI InChI=1S/C12H17N3/c1-2-11(8-13-5-1)15-7-4-12(10-15)3-6-14-9-12/h1-2,5,8,14H,3-4,6-7,9-10H2
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay

Bioorg Med Chem Lett 19: 1682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.099
BindingDB Entry DOI: 10.7270/Q2HD7VJK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))		BDBM50279369
PNG
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
PDB
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n/an/an/an/a 18n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay

J Med Chem 54: 7678-92 (2011)


BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair