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Compile Data Set for Download or QSAR

Found 256 hits with Last Name = 'macdougall' and Initial = 'm'   
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 protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
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0.295n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50162625
PNG
(Benzyl derivative of M6G | CHEMBL366917)
Show SMILES COC1[C@H](NC(=O)CC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C |c:52|
Show InChI InChI=1S/C54H60N2O8/c1-56-28-27-54-43(46(56)29-41-23-24-42(57)30-44(41)54)25-26-45(53(54)59-2)55-49(58)31-47-50(61-33-38-17-9-4-10-18-38)52(63-35-40-21-13-6-14-22-40)51(62-34-39-19-11-5-12-20-39)48(64-47)36-60-32-37-15-7-3-8-16-37/h3-26,30,43,45-48,50-53,57H,27-29,31-36H2,1-2H3,(H,55,58)/t43-,45+,46+,47?,48?,50?,51?,52?,53?,54-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to recombinant human Opioid receptor mu 1


Bioorg Med Chem Lett 15: 1583-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.072
BindingDB Entry DOI: 10.7270/Q2HT2Q2W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50162622
PNG
(CHEMBL362202 | Deprotected cogener of M6G)
Show SMILES COC1[C@H](NC(=O)CC2OC(CO)C(O)C(O)C2O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C |c:20|
Show InChI InChI=1S/C26H36N2O8/c1-28-8-7-26-15(18(28)9-13-3-4-14(30)10-16(13)26)5-6-17(25(26)35-2)27-21(31)11-19-22(32)24(34)23(33)20(12-29)36-19/h3-6,10,15,17-20,22-25,29-30,32-34H,7-9,11-12H2,1-2H3,(H,27,31)/t15-,17+,18+,19?,20?,22?,23?,24?,25?,26-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to recombinant human Opioid receptor mu 1


Bioorg Med Chem Lett 15: 1583-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.072
BindingDB Entry DOI: 10.7270/Q2HT2Q2W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50162624
PNG
(CHEMBL359644 | M6G thiosaccharide analogue)
Show SMILES COC1[C@H](SC2OC(CO)C(O)C(O)C2O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C |c:17|
Show InChI InChI=1S/C24H33NO7S/c1-25-8-7-24-14(16(25)9-12-3-4-13(27)10-15(12)24)5-6-18(22(24)31-2)33-23-21(30)20(29)19(28)17(11-26)32-23/h3-6,10,14,16-23,26-30H,7-9,11H2,1-2H3/t14-,16+,17?,18+,19?,20?,21?,22?,23?,24-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to recombinant human Opioid receptor mu 1


Bioorg Med Chem Lett 15: 1583-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.072
BindingDB Entry DOI: 10.7270/Q2HT2Q2W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50162626
PNG
(CHEMBL359534 | M6G thiosaccharide analogue)
Show SMILES COC1[C@H](SC2OC(C(O)C(O)C2O)C(O)=O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C |c:18|
Show InChI InChI=1S/C24H31NO8S/c1-25-8-7-24-13(15(25)9-11-3-4-12(26)10-14(11)24)5-6-16(21(24)32-2)34-23-19(29)17(27)18(28)20(33-23)22(30)31/h3-6,10,13,15-21,23,26-29H,7-9H2,1-2H3,(H,30,31)/t13-,15+,16+,17?,18?,19?,20?,21?,23?,24-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to recombinant human Opioid receptor mu 1


Bioorg Med Chem Lett 15: 1583-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.072
BindingDB Entry DOI: 10.7270/Q2HT2Q2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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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9.46n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50370478
PNG
(MORPHINE-6-GLUCURONIDE | Morphine 6-Glucuronide(Mi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)ccc5O |r,c:16|
Show InChI InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1
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13n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to recombinant human Opioid receptor mu 1


Bioorg Med Chem Lett 15: 1583-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.072
BindingDB Entry DOI: 10.7270/Q2HT2Q2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
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125n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323673
PNG
((1S,6R,5S)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)
Show SMILES Oc1cncc(c1)-c1ccccc1O[C@@H]1C[C@@H]2C[C@H]1CNC2 |r|
Show InChI InChI=1S/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/m0/s1
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149n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323678
PNG
(CHEMBL1209186 | rac-exo-[6-(2-(4-Methanesulfonylam...)
Show SMILES CS(=O)(=O)Nc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C19H23N3O3S/c1-26(23,24)22-17-6-7-20-12-16(17)15-4-2-3-5-18(15)25-19-9-13-8-14(19)11-21-10-13/h2-7,12-14,19,21H,8-11H2,1H3,(H,20,22)/t13-,14-,19+/m1/s1
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250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323672
PNG
((1R,6S,5R)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)
Show SMILES Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/m1/s1
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252n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323672
PNG
((1R,6S,5R)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)
Show SMILES Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/m1/s1
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255n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50398789
PNG
(CHEMBL2180073)
Show SMILES C[C@@H](N1CC(C1)Oc1ccccc1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C21H25N5O3/c1-14(25-12-17(13-25)29-16-5-3-2-4-6-16)19-23-20-18(21(27)24-19)11-22-26(20)15-7-9-28-10-8-15/h2-6,11,14-15,17H,7-10,12-13H2,1H3,(H,23,24,27)/t14-/m1/s1
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293n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


J Med Chem 55: 9055-68 (2012)


Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323670
PNG
(CHEMBL1209073 | rac-exo-[6-(2-(5-Methoxypyridin-3-...)
Show SMILES COc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C19H22N2O2/c1-22-16-8-14(10-21-12-16)17-4-2-3-5-18(17)23-19-7-13-6-15(19)11-20-9-13/h2-5,8,10,12-13,15,19-20H,6-7,9,11H2,1H3/t13-,15-,19+/m1/s1
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>309n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323679
PNG
((1R,6S,5R)-[6-(2-(5-Methanesulfonylaminopyridin-3-...)
Show SMILES CS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C19H23N3O3S/c1-26(23,24)22-16-8-14(10-21-12-16)17-4-2-3-5-18(17)25-19-7-13-6-15(19)11-20-9-13/h2-5,8,10,12-13,15,19-20,22H,6-7,9,11H2,1H3/t13-,15-,19+/m1/s1
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336n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323671
PNG
(CHEMBL1209123 | rac-exo-[6-(2-(4-Hydroxypyridin-3-...)
Show SMILES Oc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C18H20N2O2/c21-16-5-6-19-11-15(16)14-3-1-2-4-17(14)22-18-8-12-7-13(18)10-20-9-12/h1-6,11-13,18,20H,7-10H2,(H,19,21)/t12-,13-,18+/m1/s1
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>419n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323679
PNG
((1R,6S,5R)-[6-(2-(5-Methanesulfonylaminopyridin-3-...)
Show SMILES CS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C19H23N3O3S/c1-26(23,24)22-16-8-14(10-21-12-16)17-4-2-3-5-18(17)25-19-7-13-6-15(19)11-20-9-13/h2-5,8,10,12-13,15,19-20,22H,6-7,9,11H2,1H3/t13-,15-,19+/m1/s1
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>424n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323688
PNG
(CHEMBL1209072 | rac-exo-[6-(2-(4-Methoxypyridin-3-...)
Show SMILES COc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C19H22N2O2/c1-22-17-6-7-20-12-16(17)15-4-2-3-5-18(15)23-19-9-13-8-14(19)11-21-10-13/h2-7,12-14,19,21H,8-11H2,1H3/t13-,14-,19+/m1/s1
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477n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323677
PNG
(CHEMBL1209185 | rac-exo-[6-(2-(5-Aminopyridin-3-yl...)
Show SMILES Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C18H21N3O/c19-15-7-13(9-21-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-20-8-12/h1-4,7,9,11-12,14,18,20H,5-6,8,10,19H2/t12-,14-,18+/m1/s1
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>575n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323681
PNG
(CHEMBL1209243 | rac-exo-[6-(2-(5-Ethanesulfonylami...)
Show SMILES CCS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C20H25N3O3S/c1-2-27(24,25)23-17-9-15(11-22-13-17)18-5-3-4-6-19(18)26-20-8-14-7-16(20)12-21-10-14/h3-6,9,11,13-14,16,20-21,23H,2,7-8,10,12H2,1H3/t14-,16-,20+/m1/s1
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>604n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323687
PNG
((1S,6R,6S)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)
Show SMILES C1[C@H]2C[C@@H](Oc3ccccc3-c3cccnc3)[C@@H]1CNC2 |r|
Show InChI InChI=1S/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/m0/s1
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>614n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323683
PNG
(CHEMBL1209305 | rac-exo-[6-(2-(5-Acetylaminopyridi...)
Show SMILES CC(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C20H23N3O2/c1-13(24)23-17-8-15(10-22-12-17)18-4-2-3-5-19(18)25-20-7-14-6-16(20)11-21-9-14/h2-5,8,10,12,14,16,20-21H,6-7,9,11H2,1H3,(H,23,24)/t14-,16-,20+/m1/s1
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>616n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323682
PNG
(CHEMBL1209244 | rac-exo-[6-(2-(5-(2-Propane)sulfon...)
Show SMILES CC(C)S(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C21H27N3O3S/c1-14(2)28(25,26)24-18-9-16(11-23-13-18)19-5-3-4-6-20(19)27-21-8-15-7-17(21)12-22-10-15/h3-6,9,11,13-15,17,21-22,24H,7-8,10,12H2,1-2H3/t15-,17-,21+/m1/s1
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745n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323669
PNG
((1R,6S,5R)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)
Show SMILES C1[C@@H]2C[C@H](Oc3ccccc3-c3cccnc3)[C@H]1CNC2 |r|
Show InChI InChI=1S/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/m1/s1
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>832n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323684
PNG
(CHEMBL1209306 | rac-exo-[6-(2-(5-Carboxamidopyridi...)
Show SMILES NC(=O)c1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C19H21N3O2/c20-19(23)15-7-13(9-22-11-15)16-3-1-2-4-17(16)24-18-6-12-5-14(18)10-21-8-12/h1-4,7,9,11-12,14,18,21H,5-6,8,10H2,(H2,20,23)/t12-,14-,18+/m1/s1
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>963n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323676
PNG
(CHEMBL1209184 | rac-exo-[6-(2-(4-Aminopyridin-3-yl...)
Show SMILES Nc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C18H21N3O/c19-16-5-6-20-11-15(16)14-3-1-2-4-17(14)22-18-8-12-7-13(18)10-21-9-12/h1-6,11-13,18,21H,7-10H2,(H2,19,20)/t12-,13-,18+/m1/s1
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>1.04E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50398807
PNG
(CHEMBL2180074)
Show SMILES CC(N1CC(C1)Oc1ccc(F)cc1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H24FN5O3/c1-13(26-11-17(12-26)30-16-4-2-14(22)3-5-16)19-24-20-18(21(28)25-19)10-23-27(20)15-6-8-29-9-7-15/h2-5,10,13,15,17H,6-9,11-12H2,1H3,(H,24,25,28)
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1.20E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


J Med Chem 55: 9055-68 (2012)


Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323669
PNG
((1R,6S,5R)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)
Show SMILES C1[C@@H]2C[C@H](Oc3ccccc3-c3cccnc3)[C@H]1CNC2 |r|
Show InChI InChI=1S/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/m1/s1
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>1.31E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323675
PNG
(CHEMBL1209183 | rac-exo-[6-(2-(5-Fluoropyridin-3-y...)
Show SMILES Fc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C18H19FN2O/c19-15-7-13(9-21-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-20-8-12/h1-4,7,9,11-12,14,18,20H,5-6,8,10H2/t12-,14-,18+/m1/s1
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>1.50E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323672
PNG
((1R,6S,5R)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)
Show SMILES Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/m1/s1
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1.58E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50323672
PNG
((1R,6S,5R)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)
Show SMILES Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/m1/s1
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1.58E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50323674
PNG
(CHEMBL1209126 | rac-exo-[6-(2-(4-Fluoropyridin-3-y...)
Show SMILES Fc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C18H19FN2O/c19-16-5-6-20-11-15(16)14-3-1-2-4-17(14)22-18-8-12-7-13(18)10-21-9-12/h1-6,11-13,18,21H,7-10H2/t12-,13-,18+/m1/s1
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1.78E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323674
PNG
(CHEMBL1209126 | rac-exo-[6-(2-(4-Fluoropyridin-3-y...)
Show SMILES Fc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C18H19FN2O/c19-16-5-6-20-11-15(16)14-3-1-2-4-17(14)22-18-8-12-7-13(18)10-21-9-12/h1-6,11-13,18,21H,7-10H2/t12-,13-,18+/m1/s1
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1.86E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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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2.11E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50323669
PNG
((1R,6S,5R)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)
Show SMILES C1[C@@H]2C[C@H](Oc3ccccc3-c3cccnc3)[C@H]1CNC2 |r|
Show InChI InChI=1S/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/m1/s1
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2.16E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50323680
PNG
((1S,6R,5S)-[6-(2-(5-Methanesulfonylaminopyridin-3-...)
Show SMILES CS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@@H]1C[C@@H]2C[C@H]1CNC2 |r|
Show InChI InChI=1S/C19H23N3O3S/c1-26(23,24)22-16-8-14(10-21-12-16)17-4-2-3-5-18(17)25-19-7-13-6-15(19)11-20-9-13/h2-5,8,10,12-13,15,19-20,22H,6-7,9,11H2,1H3/t13-,15-,19+/m0/s1
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2.91E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323669
PNG
((1R,6S,5R)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)
Show SMILES C1[C@@H]2C[C@H](Oc3ccccc3-c3cccnc3)[C@H]1CNC2 |r|
Show InChI InChI=1S/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/m1/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323679
PNG
((1R,6S,5R)-[6-(2-(5-Methanesulfonylaminopyridin-3-...)
Show SMILES CS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C19H23N3O3S/c1-26(23,24)22-16-8-14(10-21-12-16)17-4-2-3-5-18(17)25-19-7-13-6-15(19)11-20-9-13/h2-5,8,10,12-13,15,19-20,22H,6-7,9,11H2,1H3/t13-,15-,19+/m1/s1
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4.75E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323679
PNG
((1R,6S,5R)-[6-(2-(5-Methanesulfonylaminopyridin-3-...)
Show SMILES CS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C19H23N3O3S/c1-26(23,24)22-16-8-14(10-21-12-16)17-4-2-3-5-18(17)25-19-7-13-6-15(19)11-20-9-13/h2-5,8,10,12-13,15,19-20,22H,6-7,9,11H2,1H3/t13-,15-,19+/m1/s1
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4.78E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323678
PNG
(CHEMBL1209186 | rac-exo-[6-(2-(4-Methanesulfonylam...)
Show SMILES CS(=O)(=O)Nc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C19H23N3O3S/c1-26(23,24)22-17-6-7-20-12-16(17)15-4-2-3-5-18(15)25-19-9-13-8-14(19)11-21-10-13/h2-7,12-14,19,21H,8-11H2,1H3,(H,20,22)/t13-,14-,19+/m1/s1
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7.59E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323681
PNG
(CHEMBL1209243 | rac-exo-[6-(2-(5-Ethanesulfonylami...)
Show SMILES CCS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C20H25N3O3S/c1-2-27(24,25)23-17-9-15(11-22-13-17)18-5-3-4-6-19(18)26-20-8-14-7-16(20)12-21-10-14/h3-6,9,11,13-14,16,20-21,23H,2,7-8,10,12H2,1H3/t14-,16-,20+/m1/s1
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9.87E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50398804
PNG
(CHEMBL2177497)
Show SMILES CC(N1CC(C1)Oc1ccc(cc1)C#N)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H24N6O3/c1-14(27-12-18(13-27)31-17-4-2-15(10-23)3-5-17)20-25-21-19(22(29)26-20)11-24-28(21)16-6-8-30-9-7-16/h2-5,11,14,16,18H,6-9,12-13H2,1H3,(H,25,26,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


J Med Chem 55: 9055-68 (2012)


Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50398800
PNG
(CHEMBL2180069)
Show SMILES C[C@@H](N1CC(C1)Oc1ncccn1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C19H23N7O3/c1-12(25-10-14(11-25)29-19-20-5-2-6-21-19)16-23-17-15(18(27)24-16)9-22-26(17)13-3-7-28-8-4-13/h2,5-6,9,12-14H,3-4,7-8,10-11H2,1H3,(H,23,24,27)/t12-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


J Med Chem 55: 9055-68 (2012)


Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323672
PNG
((1R,6S,5R)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)
Show SMILES Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/m1/s1
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>1.35E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323675
PNG
(CHEMBL1209183 | rac-exo-[6-(2-(5-Fluoropyridin-3-y...)
Show SMILES Fc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C18H19FN2O/c19-15-7-13(9-21-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-20-8-12/h1-4,7,9,11-12,14,18,20H,5-6,8,10H2/t12-,14-,18+/m1/s1
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>1.35E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323682
PNG
(CHEMBL1209244 | rac-exo-[6-(2-(5-(2-Propane)sulfon...)
Show SMILES CC(C)S(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C21H27N3O3S/c1-14(2)28(25,26)24-18-9-16(11-23-13-18)19-5-3-4-6-20(19)27-21-8-15-7-17(21)12-22-10-15/h3-6,9,11,13-15,17,21-22,24H,7-8,10,12H2,1-2H3/t15-,17-,21+/m1/s1
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1.46E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323677
PNG
(CHEMBL1209185 | rac-exo-[6-(2-(5-Aminopyridin-3-yl...)
Show SMILES Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C18H21N3O/c19-15-7-13(9-21-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-20-8-12/h1-4,7,9,11-12,14,18,20H,5-6,8,10,19H2/t12-,14-,18+/m1/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323684
PNG
(CHEMBL1209306 | rac-exo-[6-(2-(5-Carboxamidopyridi...)
Show SMILES NC(=O)c1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C19H21N3O2/c20-19(23)15-7-13(9-22-11-15)16-3-1-2-4-17(16)24-18-6-12-5-14(18)10-21-8-12/h1-4,7,9,11-12,14,18,21H,5-6,8,10H2,(H2,20,23)/t12-,14-,18+/m1/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323673
PNG
((1S,6R,5S)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)
Show SMILES Oc1cncc(c1)-c1ccccc1O[C@@H]1C[C@@H]2C[C@H]1CNC2 |r|
Show InChI InChI=1S/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50323683
PNG
(CHEMBL1209305 | rac-exo-[6-(2-(5-Acetylaminopyridi...)
Show SMILES CC(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C20H23N3O2/c1-13(24)23-17-8-15(10-22-12-17)18-4-2-3-5-19(18)25-20-7-14-6-16(20)11-21-9-14/h2-5,8,10,12,14,16,20-21H,6-7,9,11H2,1H3,(H,23,24)/t14-,16-,20+/m1/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 20: 4749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV
More data for this
Ligand-Target Pair
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