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BDBM50052593 3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine::3-Ethynyl-5-((S)-1-methyl-pyrrolidin-2-yl)-pyridine::Altinicline::CHEMBL111659

SMILES: CN1CCC[C@H]1c1cncc(c1)C#C

InChI Key: InChIKey=NUPUDYKEEJNZRG-LBPRGKRZSA-N

Data: 1 IC50  12 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50052593   
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 protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
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n/an/an/an/a 4.90E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha2-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


J Med Chem 39: 3235-7 (1996)


Article DOI: 10.1021/jm960328w
BindingDB Entry DOI: 10.7270/Q2BV7H97
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha-1-beta-1-gamma-delta cell lines of human embryonic kidney for nicotinic acetylcholine receptor ago...


J Med Chem 39: 3235-7 (1996)


Article DOI: 10.1021/jm960328w
BindingDB Entry DOI: 10.7270/Q2BV7H97
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha3-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


J Med Chem 39: 3235-7 (1996)


Article DOI: 10.1021/jm960328w
BindingDB Entry DOI: 10.7270/Q2BV7H97
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha2/beta4


(Homo sapiens (Human)-HUMAN)
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha2-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


J Med Chem 39: 3235-7 (1996)


Article DOI: 10.1021/jm960328w
BindingDB Entry DOI: 10.7270/Q2BV7H97
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha2/beta4


(Homo sapiens (Human)-HUMAN)
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
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KEGG

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PubMed
n/an/an/an/a 4.90E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha2-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


J Med Chem 39: 3235-7 (1996)


Article DOI: 10.1021/jm960328w
BindingDB Entry DOI: 10.7270/Q2BV7H97
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
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n/an/an/an/a 9.00E+3n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha4-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


J Med Chem 39: 3235-7 (1996)


Article DOI: 10.1021/jm960328w
BindingDB Entry DOI: 10.7270/Q2BV7H97
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
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n/an/an/an/a 320n/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Effective concentration against Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN)
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
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n/an/an/an/a 5.20E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha3-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


J Med Chem 39: 3235-7 (1996)


Article DOI: 10.1021/jm960328w
BindingDB Entry DOI: 10.7270/Q2BV7H97
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN)
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
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n/an/an/an/a 2.30E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha3-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


J Med Chem 39: 3235-7 (1996)


Article DOI: 10.1021/jm960328w
BindingDB Entry DOI: 10.7270/Q2BV7H97
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2 subunit/subunit beta-4


(HUMAN)
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Effective concentration against Nicotinic acetylcholine receptor alpha2-beta4


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
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KEGG

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n/an/an/an/a>1.00E+4n/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Effective concentration against Nicotinic acetylcholine receptor alpha 7


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human)-HUMAN)
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
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Article
PubMed
n/an/an/an/a 3.20E+3n/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Effective concentration against Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50052593
PNG
(3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...)
Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
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n/an/an/an/a 2.60E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha4-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


J Med Chem 39: 3235-7 (1996)


Article DOI: 10.1021/jm960328w
BindingDB Entry DOI: 10.7270/Q2BV7H97
More data for this
Ligand-Target Pair