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Compile Data Set for Download or QSAR

Found 318 hits with Last Name = 'altieri' and Initial = 'f'   
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 subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473413
PNG
(CHEMBL126487)
Show SMILES [Br-].C[N+]1(C)CCN(CC1)c1cccc(N)c1
Show InChI InChI=1S/C12H20N3/c1-15(2)8-6-14(7-9-15)12-5-3-4-11(13)10-12/h3-5,10H,6-9,13H2,1-2H3/q+1
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2.30n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473417
PNG
(CHEMBL129827)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1ccc(Cl)nn1
Show InChI InChI=1S/C10H16ClN4/c1-15(2)7-5-14(6-8-15)10-4-3-9(11)12-13-10/h3-4H,5-8H2,1-2H3/q+1
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4.5n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473417
PNG
(CHEMBL129827)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1ccc(Cl)nn1
Show InChI InChI=1S/C10H16ClN4/c1-15(2)7-5-14(6-8-15)10-4-3-9(11)12-13-10/h3-4H,5-8H2,1-2H3/q+1
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4.5n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473414
PNG
(CHEMBL129790)
Show SMILES [I-].CC(=O)Oc1cccc(c1)N1CC[N+](C)(C)CC1
Show InChI InChI=1S/C14H21N2O2/c1-12(17)18-14-6-4-5-13(11-14)15-7-9-16(2,3)10-8-15/h4-6,11H,7-10H2,1-3H3/q+1
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6.80n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473414
PNG
(CHEMBL129790)
Show SMILES [I-].CC(=O)Oc1cccc(c1)N1CC[N+](C)(C)CC1
Show InChI InChI=1S/C14H21N2O2/c1-12(17)18-14-6-4-5-13(11-14)15-7-9-16(2,3)10-8-15/h4-6,11H,7-10H2,1-3H3/q+1
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6.80n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473431
PNG
(CHEMBL128610)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1cccc(O)c1
Show InChI InChI=1S/C12H18N2O/c1-14(2)8-6-13(7-9-14)11-4-3-5-12(15)10-11/h3-5,10H,6-9H2,1-2H3/p+1
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8n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473437
PNG
(CHEMBL126197)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1cccc(F)c1
Show InChI InChI=1S/C12H18FN2/c1-15(2)8-6-14(7-9-15)12-5-3-4-11(13)10-12/h3-5,10H,6-9H2,1-2H3/q+1
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22n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473450
PNG
(CHEMBL125353)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C12H18N3O2/c1-15(2)8-6-13(7-9-15)11-4-3-5-12(10-11)14(16)17/h3-5,10H,6-9H2,1-2H3/q+1
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22n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473437
PNG
(CHEMBL126197)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1cccc(F)c1
Show InChI InChI=1S/C12H18FN2/c1-15(2)8-6-14(7-9-15)12-5-3-4-11(13)10-12/h3-5,10H,6-9H2,1-2H3/q+1
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22n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50469866
PNG
(CHEMBL46193)
Show SMILES CCC(Sc1ccccc1)C(=O)OC1CC2CCC(C1)N2C |TLB:12:13:20:16.17|
Show InChI InChI=1S/C18H25NO2S/c1-3-17(22-16-7-5-4-6-8-16)18(20)21-15-11-13-9-10-14(12-15)19(13)2/h4-8,13-15,17H,3,9-12H2,1-2H3
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23n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
The compound is evaluated for binding affinity against central muscarinic receptor by using [3H]- QNB as radioligand


J Med Chem 37: 1712-9 (1994)


Article DOI: 10.1021/jm00037a023
BindingDB Entry DOI: 10.7270/Q2PG1VF6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473447
PNG
(CHEMBL131467)
Show SMILES [I-].COc1ccc(cc1)N1CC[N+](C)(C)CC1
Show InChI InChI=1S/C13H21N2O/c1-15(2)10-8-14(9-11-15)12-4-6-13(16-3)7-5-12/h4-7H,8-11H2,1-3H3/q+1
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40n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50469864
PNG
(CHEMBL3084476)
Show SMILES [H][C@]12CC[C@]([H])(C[C@]([H])(C1)OC(=O)[C@@H](CO)c1ccccc1)N2C |r,TLB:10:7:22:3.2|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m0/s1
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50n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity for [3H]QNB in membrane preparations from rat brain tissue


J Med Chem 37: 1704-11 (1994)


Article DOI: 10.1021/jm00037a022
BindingDB Entry DOI: 10.7270/Q2T72M5X
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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74n/an/an/an/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...


J Med Chem 55: 37-54 (2012)


Article DOI: 10.1021/jm201306q
BindingDB Entry DOI: 10.7270/Q23N24JP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50053616
PNG
(4-(3-Chloro-phenyl)-1,1-dimethyl-piperazin-1-ium |...)
Show SMILES C[N+]1(C)CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C12H18ClN2/c1-15(2)8-6-14(7-9-15)12-5-3-4-11(13)10-12/h3-5,10H,6-9H2,1-2H3/q+1
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80n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50475680
PNG
(Arecaidine Propargyl Ester)
Show SMILES CN1CCC=C(C1)C(=O)OCC#C |c:4|
Show InChI InChI=1S/C10H13NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h1,5H,4,6-8H2,2H3
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87n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity to cloned human muscarinic M2 receptor expressed in CHO cells


J Med Chem 49: 1925-31 (2006)


Article DOI: 10.1021/jm0510878
BindingDB Entry DOI: 10.7270/Q2HX1GFK
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28762
PNG
((2R)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...)
Show SMILES CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m1/s1
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88n/an/an/an/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...


J Med Chem 55: 37-54 (2012)


Article DOI: 10.1021/jm201306q
BindingDB Entry DOI: 10.7270/Q23N24JP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473439
PNG
(CHEMBL126517)
Show SMILES CN1CCN(CC1)c1cccnc1
Show InChI InChI=1S/C10H15N3/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10/h2-4,9H,5-8H2,1H3
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90n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473451
PNG
(CHEMBL125357)
Show SMILES OC(=O)C(O)=O.C1CN(CCN1)c1cccnc1
Show InChI InChI=1S/C9H13N3/c1-2-9(8-11-3-1)12-6-4-10-5-7-12/h1-3,8,10H,4-7H2
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90n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50469865
PNG
(CHEMBL1160156)
Show SMILES OC(=O)\C=C/C(O)=O.CC(C(=O)OC1CC2CCC(C1)N2C)c1ccc(Cl)cc1 |TLB:12:13:20:16.17|
Show InChI InChI=1S/C17H22ClNO2.C4H4O4/c1-11(12-3-5-13(18)6-4-12)17(20)21-16-9-14-7-8-15(10-16)19(14)2;5-3(6)1-2-4(7)8/h3-6,11,14-16H,7-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
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95n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity for [3H]QNB in membrane preparations from rat brain tissue


J Med Chem 37: 1704-11 (1994)


Article DOI: 10.1021/jm00037a022
BindingDB Entry DOI: 10.7270/Q2T72M5X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50469863
PNG
(CHEMBL1160131)
Show SMILES OC(=O)\C=C/C(O)=O.CC(C(=O)OC1CC2CCC(C1)N2C)c1ccc(Br)cc1 |TLB:12:13:20:16.17|
Show InChI InChI=1S/C17H22BrNO2.C4H4O4/c1-11(12-3-5-13(18)6-4-12)17(20)21-16-9-14-7-8-15(10-16)19(14)2;5-3(6)1-2-4(7)8/h3-6,11,14-16H,7-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
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110n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity for [3H]QNB in membrane preparations from rat brain tissue


J Med Chem 37: 1704-11 (1994)


Article DOI: 10.1021/jm00037a022
BindingDB Entry DOI: 10.7270/Q2T72M5X
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473430
PNG
(CHEMBL126348)
Show SMILES CN1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C10H15N3/c1-12-6-8-13(9-7-12)10-2-4-11-5-3-10/h2-5H,6-9H2,1H3
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170n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50006611
PNG
(CHEMBL45951)
Show SMILES CCC(Oc1ccc(Cl)cc1)C(=O)OC1CC2CCC(C1)N2C |TLB:13:14:21:17.18|
Show InChI InChI=1S/C18H24ClNO3/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3
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174n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
The compound is evaluated for binding affinity against central muscarinic receptor by using [3H]- QNB as radioligand


J Med Chem 37: 1712-9 (1994)


Article DOI: 10.1021/jm00037a023
BindingDB Entry DOI: 10.7270/Q2PG1VF6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50097722
PNG
(CHEMBL129399)
Show SMILES CN1CCN(CC1)c1cccc(N)c1
Show InChI InChI=1S/C29H36FN5O5S/c1-3-4-5-6-7-8-13-33(2)25(36)18-35-17-23(14-22-15-31-28(40)34(16-22)19-26(37)38)27(39)32-29(35)41-20-21-9-11-24(30)12-10-21/h9-12,15-17H,3-8,13-14,18-20H2,1-2H3,(H,37,38)
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180n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50061567
PNG
(1,1-Dimethyl-4-phenyl-piperazin-1-ium | CHEMBL1347...)
Show SMILES C[N+]1(C)CCN(CC1)c1ccccc1
Show InChI InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1
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250n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473469
PNG
(CHEMBL126452)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C13H18N3/c1-16(2)8-6-15(7-9-16)13-5-3-4-12(10-13)11-14/h3-5,10H,6-9H2,1-2H3/q+1
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300n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473434
PNG
(CHEMBL337220)
Show SMILES OC(=O)C(O)=O.CN1CCN(CC1)c1cccnn1
Show InChI InChI=1S/C9H14N4/c1-12-5-7-13(8-6-12)9-3-2-4-10-11-9/h2-4H,5-8H2,1H3
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386n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473470
PNG
(CHEMBL128847)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C12H18FN2/c1-15(2)9-7-14(8-10-15)12-5-3-11(13)4-6-12/h3-6H,7-10H2,1-2H3/q+1
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420n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473416
PNG
(CHEMBL126030)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1ccccn1
Show InChI InChI=1S/C11H18N3/c1-14(2)9-7-13(8-10-14)11-5-3-4-6-12-11/h3-6H,7-10H2,1-2H3/q+1
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500n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473412
PNG
(CHEMBL125636)
Show SMILES [I-].C[N+]1(C)CCC(CC1)c1ccccc1
Show InChI InChI=1S/C13H20N/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/q+1
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600n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473412
PNG
(CHEMBL125636)
Show SMILES [I-].C[N+]1(C)CCC(CC1)c1ccccc1
Show InChI InChI=1S/C13H20N/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/q+1
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603n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473459
PNG
(CHEMBL129266)
Show SMILES OC(=O)C(O)=O.C1CN(CCN1)c1cccnn1
Show InChI InChI=1S/C8H12N4/c1-2-8(11-10-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2
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644n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473458
PNG
(CHEMBL129232)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C13H19N2O2/c1-15(2)7-5-14(6-8-15)11-3-4-12-13(9-11)17-10-16-12/h3-4,9H,5-8,10H2,1-2H3/q+1
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672n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473453
PNG
(CHEMBL129772)
Show SMILES [I-].C[N+]1(C)CCC(=CC1)c1ccccc1 |c:5|
Show InChI InChI=1S/C13H18N/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-8H,9-11H2,1-2H3/q+1
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750n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473453
PNG
(CHEMBL129772)
Show SMILES [I-].C[N+]1(C)CCC(=CC1)c1ccccc1 |c:5|
Show InChI InChI=1S/C13H18N/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-8H,9-11H2,1-2H3/q+1
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759n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473418
PNG
(CHEMBL341158)
Show SMILES OC(=O)C(O)=O.CN1CCN(CC1)c1cccc(OC(C)=O)c1
Show InChI InChI=1S/C13H18N2O2/c1-11(16)17-13-5-3-4-12(10-13)15-8-6-14(2)7-9-15/h3-5,10H,6-9H2,1-2H3
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794n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473418
PNG
(CHEMBL341158)
Show SMILES OC(=O)C(O)=O.CN1CCN(CC1)c1cccc(OC(C)=O)c1
Show InChI InChI=1S/C13H18N2O2/c1-11(16)17-13-5-3-4-12(10-13)15-8-6-14(2)7-9-15/h3-5,10H,6-9H2,1-2H3
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800n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473423
PNG
(CHEMBL125904)
Show SMILES [I-].CC(=O)Nc1cccc(c1)N1CC[N+](C)(C)CC1
Show InChI InChI=1S/C14H21N3O/c1-12(18)15-13-5-4-6-14(11-13)16-7-9-17(2,3)10-8-16/h4-6,11H,7-10H2,1-3H3/p+1
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850n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50475680
PNG
(Arecaidine Propargyl Ester)
Show SMILES CN1CCC=C(C1)C(=O)OCC#C |c:4|
Show InChI InChI=1S/C10H13NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h1,5H,4,6-8H2,2H3
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851n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity to cloned human muscarinic M3 receptor expressed in CHO cells


J Med Chem 49: 1925-31 (2006)


Article DOI: 10.1021/jm0510878
BindingDB Entry DOI: 10.7270/Q2HX1GFK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473468
PNG
(CHEMBL128682)
Show SMILES [I-].C[N+]1(C)CCN(CC1)C1=CC(=O)CC1 |t:9|
Show InChI InChI=1S/C11H19N2O/c1-13(2)7-5-12(6-8-13)10-3-4-11(14)9-10/h9H,3-8H2,1-2H3/q+1
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851n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473468
PNG
(CHEMBL128682)
Show SMILES [I-].C[N+]1(C)CCN(CC1)C1=CC(=O)CC1 |t:9|
Show InChI InChI=1S/C11H19N2O/c1-13(2)7-5-12(6-8-13)10-3-4-11(14)9-10/h9H,3-8H2,1-2H3/q+1
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853n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473445
PNG
(CHEMBL129291)
Show SMILES [I-].COc1cccc(c1)N1CC[N+](C)(C)CC1
Show InChI InChI=1S/C13H21N2O/c1-15(2)9-7-14(8-10-15)12-5-4-6-13(11-12)16-3/h4-6,11H,7-10H2,1-3H3/q+1
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900n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50475680
PNG
(Arecaidine Propargyl Ester)
Show SMILES CN1CCC=C(C1)C(=O)OCC#C |c:4|
Show InChI InChI=1S/C10H13NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h1,5H,4,6-8H2,2H3
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933n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity to cloned human muscarinic M5 receptor expressed in CHO cells


J Med Chem 49: 1925-31 (2006)


Article DOI: 10.1021/jm0510878
BindingDB Entry DOI: 10.7270/Q2HX1GFK
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28763
PNG
((2S)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...)
Show SMILES CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m0/s1
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971n/an/an/an/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...


J Med Chem 55: 37-54 (2012)


Article DOI: 10.1021/jm201306q
BindingDB Entry DOI: 10.7270/Q23N24JP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50475680
PNG
(Arecaidine Propargyl Ester)
Show SMILES CN1CCC=C(C1)C(=O)OCC#C |c:4|
Show InChI InChI=1S/C10H13NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h1,5H,4,6-8H2,2H3
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977n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity to cloned human muscarinic M4 receptor expressed in CHO cells


J Med Chem 49: 1925-31 (2006)


Article DOI: 10.1021/jm0510878
BindingDB Entry DOI: 10.7270/Q2HX1GFK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473425
PNG
(CHEMBL127023)
Show SMILES Clc1ccc(nn1)N1CCNCC1
Show InChI InChI=1S/C8H11ClN4/c9-7-1-2-8(12-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2
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1.02E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473425
PNG
(CHEMBL127023)
Show SMILES Clc1ccc(nn1)N1CCNCC1
Show InChI InChI=1S/C8H11ClN4/c9-7-1-2-8(12-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2
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1.03E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473463
PNG
(1'',2'',3'',6''-Tetrahydro-[3,4'']Bipyridinyl HCl ...)
Show SMILES Cl.C1CC(=CCN1)c1cccnc1 |c:2|
Show InChI InChI=1S/C10H12N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h1-3,5,8,11H,4,6-7H2
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473433
PNG
(CHEMBL542222)
Show SMILES Cl.CN1CCC(CC1)c1cccnc1
Show InChI InChI=1S/C11H16N2/c1-13-7-4-10(5-8-13)11-3-2-6-12-9-11/h2-3,6,9-10H,4-5,7-8H2,1H3
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50053627
PNG
(1,1-Dimethyl-4-(3-trifluoromethyl-phenyl)-piperazi...)
Show SMILES C[N+]1(C)CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H18F3N2/c1-18(2)8-6-17(7-9-18)12-5-3-4-11(10-12)13(14,15)16/h3-5,10H,6-9H2,1-2H3/q+1
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50026638
PNG
(1'-Methyl-1',2',3',6'-tetrahydro-[3,4']bipyridinyl...)
Show SMILES CN1CCC(=CC1)c1cccnc1 |c:4|
Show InChI InChI=1S/C11H14N2/c1-13-7-4-10(5-8-13)11-3-2-6-12-9-11/h2-4,6,9H,5,7-8H2,1H3
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
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