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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'gaimarri' and Initial = 'a'   
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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50216315
PNG
((1R,4R)-2-(6-chloro-3-pyridinyl)-2,5-diazabicyclo[...)
Show SMILES Clc1ccc(cn1)N1CC2CC1CN2 |TLB:4:7:10:12.13|
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2
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0.0180n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]cytosine form alpha4beta2 nAChR in rat striatum


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275878
PNG
(3-(6-chloropyridin-3-yl)-3,6-diazabicyclo[3.1.1]he...)
Show SMILES Clc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2
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0.0230n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275880
PNG
(3-(6-bromopyridin-3-yl)-3,6-diazabicyclo[3.1.1]hep...)
Show SMILES Brc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|
Show InChI InChI=1S/C10H12BrN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2
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0.0390n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275879
PNG
(3-(pyridin-3-yl)-3,6-diazabicyclo[3.1.1]heptane | ...)
Show SMILES C1C2CN(CC1N2)c1cccnc1 |TLB:7:3:6:0|
Show InChI InChI=1S/C10H13N3/c1-2-10(5-11-3-1)13-6-8-4-9(7-13)12-8/h1-3,5,8-9,12H,4,6-7H2
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0.0560n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275932
PNG
(3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]...)
Show SMILES Clc1ccc(nn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|
Show InChI InChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-4-6-3-7(5-14)11-6/h1-2,6-7,11H,3-5H2
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0.168n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275933
PNG
(3-(6-chloropyridin-3-yl)-6-methyl-3,6-diazabicyclo...)
Show SMILES CN1C2CC1CN(C2)c1ccc(Cl)nc1 |THB:8:6:1:3|
Show InChI InChI=1S/C11H14ClN3/c1-14-9-4-10(14)7-15(6-9)8-2-3-11(12)13-5-8/h2-3,5,9-10H,4,6-7H2,1H3
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0.430n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275931
PNG
(3-(4-nitrophenyl)-3,6-diazabicyclo[3.1.1]heptane |...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CC2CC(C1)N2 |TLB:6:9:15:12|
Show InChI InChI=1S/C11H13N3O2/c15-14(16)11-3-1-10(2-4-11)13-6-8-5-9(7-13)12-8/h1-4,8-9,12H,5-7H2
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1.20n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275879
PNG
(3-(pyridin-3-yl)-3,6-diazabicyclo[3.1.1]heptane | ...)
Show SMILES C1C2CN(CC1N2)c1cccnc1 |TLB:7:3:6:0|
Show InChI InChI=1S/C10H13N3/c1-2-10(5-11-3-1)13-6-8-4-9(7-13)12-8/h1-3,5,8-9,12H,4,6-7H2
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1.36n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275878
PNG
(3-(6-chloropyridin-3-yl)-3,6-diazabicyclo[3.1.1]he...)
Show SMILES Clc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|
Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2
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4.10n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275933
PNG
(3-(6-chloropyridin-3-yl)-6-methyl-3,6-diazabicyclo...)
Show SMILES CN1C2CC1CN(C2)c1ccc(Cl)nc1 |THB:8:6:1:3|
Show InChI InChI=1S/C11H14ClN3/c1-14-9-4-10(14)7-15(6-9)8-2-3-11(12)13-5-8/h2-3,5,9-10H,4,6-7H2,1H3
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20n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275932
PNG
(3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]...)
Show SMILES Clc1ccc(nn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|
Show InChI InChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-4-6-3-7(5-14)11-6/h1-2,6-7,11H,3-5H2
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25n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275880
PNG
(3-(6-bromopyridin-3-yl)-3,6-diazabicyclo[3.1.1]hep...)
Show SMILES Brc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|
Show InChI InChI=1S/C10H12BrN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2
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50.5n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275931
PNG
(3-(4-nitrophenyl)-3,6-diazabicyclo[3.1.1]heptane |...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CC2CC(C1)N2 |TLB:6:9:15:12|
Show InChI InChI=1S/C11H13N3O2/c15-14(16)11-3-1-10(2-4-11)13-6-8-5-9(7-13)12-8/h1-4,8-9,12H,5-7H2
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2.80E+4n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex


Bioorg Med Chem Lett 18: 6147-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.002
BindingDB Entry DOI: 10.7270/Q29G5MPJ
More data for this
Ligand-Target Pair