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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50036443   
Target/Host
(Institution)
LigandTarget/Host
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
Muscarinic acetylcholine receptor


(RAT)
BDBM50052594
PNG
((+) 3-Bromo-5-(1-methyl-pyrrolidin-2-yl)-pyridine ...)
Show SMILES CN1CCCC1c1cncc(Br)c1
Show InChI InChI=1S/C10H13BrN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha4-beta2 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
Muscarinic acetylcholine receptor


(RAT)
BDBM50369150
PNG
(CHEMBL1788226)
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-/m1/s1
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n/an/a 4.50E+3n/an/an/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
Muscarinic acetylcholine receptor


(RAT)
BDBM50052592
PNG
(3-Ethyl-5-(1-methyl-pyrrolidin-2-yl)-pyridine | CH...)
Show SMILES CCc1cncc(c1)C1CCCN1C
Show InChI InChI=1S/C12H18N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h7-9,12H,3-6H2,1-2H3
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n/an/a 5.80E+3n/an/an/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
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
Muscarinic acetylcholine receptor


(RAT)
BDBM86544
PNG
(CAS_192231-16-6 | CHEMBL111580 | NSC_6442277 | SIB...)
Show SMILES CN1CCCC1c1cncc(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
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n/an/a 1.01E+4n/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
Muscarinic acetylcholine receptor


(RAT)
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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n/an/a 3.60E+5n/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
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(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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n/an/an/an/a 7.10E+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
3D
3D Structure (crystal)
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM86544
PNG
(CAS_192231-16-6 | CHEMBL111580 | NSC_6442277 | SIB...)
Show SMILES CN1CCCC1c1cncc(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
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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 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
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM86544
PNG
(CAS_192231-16-6 | CHEMBL111580 | NSC_6442277 | SIB...)
Show SMILES CN1CCCC1c1cncc(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
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n/an/an/an/a 5.30E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
Binding affinity at NAChRs was determined by measuring the displacement of ([3H]Nic) from a preparation of rat cortical membranes.


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)
BDBM50369150
PNG
(CHEMBL1788226)
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-/m1/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
Binding affinity at NAChRs was determined by measuring the displacement of ([3H]Nic) from a preparation of rat cortical membranes.


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)
BDBM86544
PNG
(CAS_192231-16-6 | CHEMBL111580 | NSC_6442277 | SIB...)
Show SMILES CN1CCCC1c1cncc(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
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n/an/an/an/a 3.90E+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
Nicotinic acetylcholine receptor alpha2/beta4


(Homo sapiens (Human)-HUMAN)
BDBM86544
PNG
(CAS_192231-16-6 | CHEMBL111580 | NSC_6442277 | SIB...)
Show SMILES CN1CCCC1c1cncc(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
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n/an/an/an/a 1.50E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
Binding affinity at NAChRs was determined by measuring the displacement of ([3H]Nic) from a preparation of rat cortical membranes.


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)
BDBM50369150
PNG
(CHEMBL1788226)
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-/m1/s1
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n/an/an/an/a 2.90E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
Binding affinity at NAChRs was determined by measuring the displacement of ([3H]Nic) from a preparation of rat cortical membranes.


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
Acetylcholine receptor


(Torpedo californica)
BDBM50369150
PNG
(CHEMBL1788226)
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-/m1/s1
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n/an/an/an/a 3.10E+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)
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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n/an/an/an/a 5.10E+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
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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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
Nicotinic acetylcholine receptor alpha2/beta4


(Homo sapiens (Human)-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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n/an/an/an/a 1.00E+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-3/beta-4 subunit


(HUMAN)
BDBM86544
PNG
(CAS_192231-16-6 | CHEMBL111580 | NSC_6442277 | SIB...)
Show SMILES CN1CCCC1c1cncc(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
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n/an/an/an/a 4.10E+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)
BDBM86544
PNG
(CAS_192231-16-6 | CHEMBL111580 | NSC_6442277 | SIB...)
Show SMILES CN1CCCC1c1cncc(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
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n/an/an/an/a 3.40E+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-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-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
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-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM86544
PNG
(CAS_192231-16-6 | CHEMBL111580 | NSC_6442277 | SIB...)
Show SMILES CN1CCCC1c1cncc(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
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n/an/an/an/a 4.70E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha4-beta2 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))
BDBM86544
PNG
(CAS_192231-16-6 | CHEMBL111580 | NSC_6442277 | SIB...)
Show SMILES CN1CCCC1c1cncc(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
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n/an/an/an/a 2.60E+3n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha4-beta2 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))
BDBM86544
PNG
(CAS_192231-16-6 | CHEMBL111580 | NSC_6442277 | SIB...)
Show SMILES CN1CCCC1c1cncc(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
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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 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
Acetylcholine receptor


(Torpedo californica)
BDBM50369150
PNG
(CHEMBL1788226)
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-/m1/s1
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MMDB

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B.MOAD
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n/an/an/an/a 8.00E+3n/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-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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n/an/an/an/a 2.10E+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
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN)
BDBM50369150
PNG
(CHEMBL1788226)
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-/m1/s1
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n/an/an/an/a 7.00E+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 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
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM86544
PNG
(CAS_192231-16-6 | CHEMBL111580 | NSC_6442277 | SIB...)
Show SMILES CN1CCCC1c1cncc(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
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n/an/an/an/a 2.50E+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
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN)
BDBM50369150
PNG
(CHEMBL1788226)
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-/m1/s1
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n/an/an/an/a 6.80E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha4-beta2 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 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