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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Cholinergic, Nicotinic Muscle' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50100712
PNG
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)
Show SMILES Ic1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13IN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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6.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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7.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50107863
PNG
((-)-cytisine | (1R,9R)-7,11-diazatricyclo[7.3.1.0~...)
Show SMILES O=c1cccc2[C@H]3CNC[C@@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
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190n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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320n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
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
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1.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50066789
PNG
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)
Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(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 2.40n/an/an/an/an/an/a



SIBIA Neurosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor by the displacement of [3H]-nicotine from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50077117
PNG
(4-[2-(1-Methyl-pyrrolidin-2-yl)-ethylsulfanyl]-phe...)
Show SMILES CN1CCCC1CCSc1ccc(O)cc1
Show InChI InChI=1S/C13H19NOS/c1-14-9-2-3-11(14)8-10-16-13-6-4-12(15)5-7-13/h4-7,11,15H,2-3,8-10H2,1H3
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n/an/a 110n/an/an/an/an/an/a



SIBIA Neurosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor by the displacement of [3H]-nicotine from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50079884
PNG
(2-(3-Pentyl-3H-diazirin-3-yl)-ethanol | CHEMBL1118...)
Show InChI InChI=1S/C8H16N2O/c1-2-3-4-5-8(6-7-11)9-10-8/h11H,2-7H2,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory potency against Nicotinic acetylcholine receptor in Rat muscle.


Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50408542
PNG
(CHEMBL337276)
Show SMILES CN1C2CCC1C(C2)c1ccc(Br)cc1
Show InChI InChI=1S/C13H16BrN/c1-15-11-6-7-13(15)12(8-11)9-2-4-10(14)5-3-9/h2-5,11-13H,6-8H2,1H3
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n/an/an/a 0.0360n/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(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/an/a 5n/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50408544
PNG
(CHEMBL134341)
Show SMILES CN1C2CCC1C(C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClN/c1-15-11-6-7-13(15)12(8-11)9-2-4-10(14)5-3-9/h2-5,11-13H,6-8H2,1H3
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n/an/an/a 0.0270n/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50408545
PNG
(CHEMBL135897)
Show SMILES Clc1ccc(cc1)C1CC2CCC1N2
Show InChI InChI=1S/C12H14ClN/c13-9-3-1-8(2-4-9)11-7-10-5-6-12(11)14-10/h1-4,10-12,14H,5-7H2
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n/an/an/a 0.0270n/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50408546
PNG
(CHEMBL335204)
Show SMILES CCN1C2CCC1C(C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClN/c1-2-16-12-7-8-14(16)13(9-12)10-3-5-11(15)6-4-10/h3-6,12-14H,2,7-9H2,1H3
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n/an/an/a 13.6n/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50408541
PNG
(CHEMBL134418)
Show SMILES CN1C2CCC1C(C2)c1ccc(F)cc1
Show InChI InChI=1S/C13H16FN/c1-15-11-6-7-13(15)12(8-11)9-2-4-10(14)5-3-9/h2-5,11-13H,6-8H2,1H3
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n/an/an/a 0.0280n/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50408547
PNG
(CHEMBL135684)
Show SMILES Brc1ccc(cc1)C1CC2CCC1N2
Show InChI InChI=1S/C12H14BrN/c13-9-3-1-8(2-4-9)11-7-10-5-6-12(11)14-10/h1-4,10-12,14H,5-7H2
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n/an/an/a 0.0450n/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.


Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Muscle


(RAT)
BDBM50408543
PNG
(CHEMBL336118)
Show SMILES Fc1ccc(cc1)C1CC2CCC1N2
Show InChI InChI=1S/C12H14FN/c13-9-3-1-8(2-4-9)11-7-10-5-6-12(11)14-10/h1-4,10-12,14H,5-7H2
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n/an/an/a 0.0370n/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.


Citation and Details
More data for this
Ligand-Target Pair