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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'coles' and Initial = 'c'   
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-7


(Rattus norvegicus (Rat))
BDBM50319936
PNG
((1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-di...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C16H18N4/c1-19-10-14-9-13(19)11-20(14)16-8-7-15(17-18-16)12-5-3-2-4-6-12/h2-8,13-14H,9-11H2,1H3/t13-,14-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082084
PNG
(CHEMBL3422597)
Show SMILES [H][C@]12CN(c3ccc(cc3)-c3ccccc3)[C@]([H])(CN1C)C2 |r|
Show InChI InChI=1S/C18H20N2/c1-19-12-18-11-17(19)13-20(18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3/t17-,18-/m0/s1
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34n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082081
PNG
(CHEMBL3422581)
Show SMILES Fc1ncccc1-c1ccc(NC(=O)CCCCN2CCOCC2)cc1
Show InChI InChI=1S/C20H24FN3O2/c21-20-18(4-3-10-22-20)16-6-8-17(9-7-16)23-19(25)5-1-2-11-24-12-14-26-15-13-24/h3-4,6-10H,1-2,5,11-15H2,(H,23,25)
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85n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082083
PNG
(CHEMBL3422596)
Show SMILES [H][C@]12CN(c3ccc(cc3)-c3cccnc3)[C@]([H])(CN1C)C2 |r|
Show InChI InChI=1S/C17H19N3/c1-19-11-17-9-16(19)12-20(17)15-6-4-13(5-7-15)14-3-2-8-18-10-14/h2-8,10,16-17H,9,11-12H2,1H3/t16-,17-/m0/s1
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140n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082085
PNG
(CHEMBL3422567)
Show SMILES O=C(CCCCN1CCCCC1)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H28N2O/c25-22(11-5-8-18-24-16-6-2-7-17-24)23-21-14-12-20(13-15-21)19-9-3-1-4-10-19/h1,3-4,9-10,12-15H,2,5-8,11,16-18H2,(H,23,25)
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190n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300803
PNG
(5-(piperidin-1-yl)-N-(4-(pyridin-3-yl)phenyl)penta...)
Show SMILES O=C(CCCCN1CCCCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C21H27N3O/c25-21(8-2-5-16-24-14-3-1-4-15-24)23-20-11-9-18(10-12-20)19-7-6-13-22-17-19/h6-7,9-13,17H,1-5,8,14-16H2,(H,23,25)
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220n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082082
PNG
(CHEMBL3422582)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C23H27N3O2/c27-23(3-1-2-12-26-13-15-28-16-14-26)25-21-7-4-18(5-8-21)19-6-9-22-20(17-19)10-11-24-22/h4-11,17,24H,1-3,12-16H2,(H,25,27)
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310n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082097
PNG
(CHEMBL3422579)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C20H25N3O2/c24-20(6-2-4-12-23-13-15-25-16-14-23)22-18-9-7-17(8-10-18)19-5-1-3-11-21-19/h1,3,5,7-11H,2,4,6,12-16H2,(H,22,24)
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330n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082080
PNG
(CHEMBL3422580)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C20H25N3O2/c24-20(3-1-2-12-23-13-15-25-16-14-23)22-19-6-4-17(5-7-19)18-8-10-21-11-9-18/h4-11H,1-3,12-16H2,(H,22,24)
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350n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082092
PNG
(CHEMBL3422574)
Show SMILES O=C(NCCCCN1CCCCC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H28N2O/c25-22(23-15-5-8-18-24-16-6-2-7-17-24)21-13-11-20(12-14-21)19-9-3-1-4-10-19/h1,3-4,9-14H,2,5-8,15-18H2,(H,23,25)
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410n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082100
PNG
(CHEMBL3422585)
Show SMILES O=C(CCCCN1CCCCC1)Nc1cc([nH]n1)-c1ccccc1
Show InChI InChI=1S/C19H26N4O/c24-19(11-5-8-14-23-12-6-2-7-13-23)20-18-15-17(21-22-18)16-9-3-1-4-10-16/h1,3-4,9-10,15H,2,5-8,11-14H2,(H2,20,21,22,24)
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660n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
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670n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300802
PNG
(5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)
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670n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]EB from rat nAChR alpha7 expressed in HEK293 cell membranes by liquid scintillation counting


Eur J Med Chem 84: 200-5 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.029
BindingDB Entry DOI: 10.7270/Q2M90BBX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082091
PNG
(CHEMBL3422573)
Show SMILES O=C(NCCCCN1CCCCC1)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C21H27N3O/c25-21(23-13-2-5-16-24-14-3-1-4-15-24)19-10-8-18(9-11-19)20-7-6-12-22-17-20/h6-12,17H,1-5,13-16H2,(H,23,25)
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1.40E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082086
PNG
(CHEMBL3422568)
Show SMILES CN1CCN(CCCCC(=O)Nc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C22H29N3O/c1-24-15-17-25(18-16-24)14-6-5-9-22(26)23-21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-4,7-8,10-13H,5-6,9,14-18H2,1H3,(H,23,26)
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1.62E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50050763
PNG
(CHEMBL3318012)
Show SMILES O=C(NCCCCN1CCOCC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H26N2O2/c24-21(22-12-4-5-13-23-14-16-25-17-15-23)20-10-8-19(9-11-20)18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-17H2,(H,22,24)
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1.80E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]EB from rat nAChR alpha7 expressed in HEK293 cell membranes by liquid scintillation counting


Eur J Med Chem 84: 200-5 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.029
BindingDB Entry DOI: 10.7270/Q2M90BBX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50050761
PNG
(CHEMBL3318010)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H26N2O2/c24-21(8-4-5-13-23-14-16-25-17-15-23)22-20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-3,6-7,9-12H,4-5,8,13-17H2,(H,22,24)
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2.30E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]EB from rat nAChR alpha7 expressed in HEK293 cell membranes by liquid scintillation counting


Eur J Med Chem 84: 200-5 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.029
BindingDB Entry DOI: 10.7270/Q2M90BBX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082099
PNG
(CHEMBL3422584)
Show SMILES O=C(CCCCN1CCOCC1)Nc1cc([nH]n1)-c1ccccc1
Show InChI InChI=1S/C18H24N4O2/c23-18(8-4-5-9-22-10-12-24-13-11-22)19-17-14-16(20-21-17)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H2,19,20,21,23)
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2.60E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082088
PNG
(CHEMBL3422570)
Show SMILES [H][C@]12CN(CCCCC(=O)Nc3ccc(cc3)-c3ccccc3)[C@]([H])(CN1C)C2 |r|
Show InChI InChI=1S/C23H29N3O/c1-25-16-22-15-21(25)17-26(22)14-6-5-9-23(27)24-20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-4,7-8,10-13,21-22H,5-6,9,14-17H2,1H3,(H,24,27)/t21-,22-/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50062447
PNG
(3-(4-Methyl-piperazin-1-yl)-6-phenyl-pyridazine; h...)
Show SMILES CN1CCN(CC1)c1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C15H18N4/c1-18-9-11-19(12-10-18)15-8-7-14(16-17-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
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4.07E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082094
PNG
(CHEMBL3422576)
Show SMILES CN1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C22H29N3O/c1-24-15-17-25(18-16-24)14-6-5-13-23-22(26)21-11-9-20(10-12-21)19-7-3-2-4-8-19/h2-4,7-12H,5-6,13-18H2,1H3,(H,23,26)
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5.40E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082096
PNG
(CHEMBL3422578)
Show SMILES [H][C@]12CN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3)[C@]([H])(CN1C)C2 |r|
Show InChI InChI=1S/C23H29N3O/c1-25-16-22-15-21(25)17-26(22)14-6-5-13-24-23(27)20-11-9-19(10-12-20)18-7-3-2-4-8-18/h2-4,7-12,21-22H,5-6,13-17H2,1H3,(H,24,27)/t21-,22-/m0/s1
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6.10E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082110
PNG
(CHEMBL3422595)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H20N2/c1-18-11-13-19(14-12-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
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7.70E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50300798
PNG
(5-(4-Methylpiperazin-1-yl)pentanoic acid(4-pyridin...)
Show SMILES CN1CCN(CCCCC(=O)Nc2ccc(cc2)-c2cccnc2)CC1
Show InChI InChI=1S/C21H28N4O/c1-24-13-15-25(16-14-24)12-3-2-6-21(26)23-20-9-7-18(8-10-20)19-5-4-11-22-17-19/h4-5,7-11,17H,2-3,6,12-16H2,1H3,(H,23,26)
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9.33E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082109
PNG
(CHEMBL3422594)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C16H19N3/c1-18-9-11-19(12-10-18)16-6-4-14(5-7-16)15-3-2-8-17-13-15/h2-8,13H,9-12H2,1H3
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9.40E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082106
PNG
(CHEMBL3422591)
Show SMILES C1CN(CCO1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H17NO/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)17-10-12-18-13-11-17/h1-9H,10-13H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082107
PNG
(CHEMBL3422592)
Show SMILES C1CCN(CC1)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C16H18N2/c1-2-11-18(12-3-1)16-8-6-14(7-9-16)15-5-4-10-17-13-15/h4-10,13H,1-3,11-12H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082108
PNG
(CHEMBL3422593)
Show SMILES C1CCN(CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H19N/c1-3-7-15(8-4-1)16-9-11-17(12-10-16)18-13-5-2-6-14-18/h1,3-4,7-12H,2,5-6,13-14H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082089
PNG
(CHEMBL3422571)
Show SMILES O=C(CCCCN1CC2(COC2)C1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C21H25N3O2/c25-20(5-1-2-11-24-13-21(14-24)15-26-16-21)23-19-8-6-17(7-9-19)18-4-3-10-22-12-18/h3-4,6-10,12H,1-2,5,11,13-16H2,(H,23,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082104
PNG
(CHEMBL3422589)
Show SMILES C1CN(CCO1)c1ccc(nn1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C16H16N4O/c1-2-14-13(5-6-17-14)11-12(1)15-3-4-16(19-18-15)20-7-9-21-10-8-20/h1-6,11,17H,7-10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082103
PNG
(CHEMBL3422588)
Show SMILES C1CCN(CC1)c1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C15H17N3/c1-3-7-13(8-4-1)14-9-10-15(17-16-14)18-11-5-2-6-12-18/h1,3-4,7-10H,2,5-6,11-12H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082087
PNG
(CHEMBL3422569)
Show SMILES [H][C@]12CN(CCCCC(=O)Nc3ccc(cc3)-c3cccnc3)[C@]([H])(CN1C)C2 |r|
Show InChI InChI=1S/C22H28N4O/c1-25-15-21-13-20(25)16-26(21)12-3-2-6-22(27)24-19-9-7-17(8-10-19)18-5-4-11-23-14-18/h4-5,7-11,14,20-21H,2-3,6,12-13,15-16H2,1H3,(H,24,27)/t20-,21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082105
PNG
(CHEMBL3422590)
Show SMILES C1CN(CCO1)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C15H16N2O/c1-2-14(12-16-7-1)13-3-5-15(6-4-13)17-8-10-18-11-9-17/h1-7,12H,8-11H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082090
PNG
(CHEMBL3422572)
Show SMILES O=C(CCCCN1CC2(COC2)C1)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H26N2O2/c25-21(8-4-5-13-24-14-22(15-24)16-26-17-22)23-20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-3,6-7,9-12H,4-5,8,13-17H2,(H,23,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082093
PNG
(CHEMBL3422575)
Show SMILES CN1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccnc2)CC1
Show InChI InChI=1S/C21H28N4O/c1-24-13-15-25(16-14-24)12-3-2-11-23-21(26)19-8-6-18(7-9-19)20-5-4-10-22-17-20/h4-10,17H,2-3,11-16H2,1H3,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082095
PNG
(CHEMBL3422577)
Show SMILES [H][C@]12CN(CCCCNC(=O)c3ccc(cc3)-c3cccnc3)[C@]([H])(CN1C)C2 |r|
Show InChI InChI=1S/C22H28N4O/c1-25-15-21-13-20(25)16-26(21)12-3-2-11-24-22(27)18-8-6-17(7-9-18)19-5-4-10-23-14-19/h4-10,14,20-21H,2-3,11-13,15-16H2,1H3,(H,24,27)/t20-,21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082098
PNG
(CHEMBL3422583)
Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C19H24N4O2/c24-19(8-4-5-11-23-12-14-25-15-13-23)20-18-10-9-17(21-22-18)16-6-2-1-3-7-16/h1-3,6-7,9-10H,4-5,8,11-15H2,(H,20,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082101
PNG
(CHEMBL3422586)
Show SMILES CN1CCN(CCCCC(=O)Nc2cc([nH]n2)-c2ccccc2)CC1
Show InChI InChI=1S/C19H27N5O/c1-23-11-13-24(14-12-23)10-6-5-9-19(25)20-18-15-17(21-22-18)16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3,(H2,20,21,22,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50082102
PNG
(CHEMBL3422587)
Show SMILES C1CN(CCO1)c1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H15N3O/c1-2-4-12(5-3-1)13-6-7-14(16-15-13)17-8-10-18-11-9-17/h1-7H,8-11H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50050762
PNG
(CHEMBL3318011)
Show SMILES O=C(NCCCCN1CCOCC1)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H25N3O2/c24-20(22-10-1-2-11-23-12-14-25-15-13-23)18-7-5-17(6-8-18)19-4-3-9-21-16-19/h3-9,16H,1-2,10-15H2,(H,22,24)
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1.10E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]EB from rat nAChR alpha7 expressed in HEK293 cell membranes by liquid scintillation counting


Eur J Med Chem 84: 200-5 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.029
BindingDB Entry DOI: 10.7270/Q2M90BBX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50050767
PNG
(CHEMBL3318016)
Show SMILES C(CCn1nnnc1-c1ccc(cc1)-c1ccccc1)CN1CCOCC1
Show InChI InChI=1S/C21H25N5O/c1-2-6-18(7-3-1)19-8-10-20(11-9-19)21-22-23-24-26(21)13-5-4-12-25-14-16-27-17-15-25/h1-3,6-11H,4-5,12-17H2
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1.56E+5n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]EB from rat nAChR alpha7 expressed in HEK293 cell membranes by liquid scintillation counting


Eur J Med Chem 84: 200-5 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.029
BindingDB Entry DOI: 10.7270/Q2M90BBX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50050766
PNG
(CHEMBL3318015)
Show SMILES C(CCn1nnnc1-c1ccc(cc1)-c1cccnc1)CN1CCOCC1
Show InChI InChI=1S/C20H24N6O/c1(10-25-12-14-27-15-13-25)2-11-26-20(22-23-24-26)18-7-5-17(6-8-18)19-4-3-9-21-16-19/h3-9,16H,1-2,10-15H2
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1.65E+5n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]EB from rat nAChR alpha7 expressed in HEK293 cell membranes by liquid scintillation counting


Eur J Med Chem 84: 200-5 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.029
BindingDB Entry DOI: 10.7270/Q2M90BBX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50050764
PNG
(CHEMBL3318013)
Show SMILES C(CCc1nnnn1-c1ccc(cc1)-c1cccnc1)CN1CCOCC1
Show InChI InChI=1S/C20H24N6O/c1(2-11-25-12-14-27-15-13-25)5-20-22-23-24-26(20)19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2
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2.16E+5n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]EB from rat nAChR alpha7 expressed in HEK293 cell membranes by liquid scintillation counting


Eur J Med Chem 84: 200-5 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.029
BindingDB Entry DOI: 10.7270/Q2M90BBX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50050765
PNG
(CHEMBL3318014)
Show SMILES C(CCc1nnnn1-c1ccc(cc1)-c1ccccc1)CN1CCOCC1
Show InChI InChI=1S/C21H25N5O/c1-2-6-18(7-3-1)19-9-11-20(12-10-19)26-21(22-23-24-26)8-4-5-13-25-14-16-27-17-15-25/h1-3,6-7,9-12H,4-5,8,13-17H2
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2.36E+5n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]EB from rat nAChR alpha7 expressed in HEK293 cell membranes by liquid scintillation counting


Eur J Med Chem 84: 200-5 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.029
BindingDB Entry DOI: 10.7270/Q2M90BBX
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50516168
PNG
(CHEMBL4541269)
Show SMILES COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C
Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bionomics Limited

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


ACS Med Chem Lett 10: 754-760 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00001
BindingDB Entry DOI: 10.7270/Q25D8W77
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50516168
PNG
(CHEMBL4541269)
Show SMILES COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C
Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bionomics Limited

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


ACS Med Chem Lett 10: 754-760 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00001
BindingDB Entry DOI: 10.7270/Q25D8W77
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50516168
PNG
(CHEMBL4541269)
Show SMILES COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C
Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bionomics Limited

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 10: 754-760 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00001
BindingDB Entry DOI: 10.7270/Q25D8W77
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50516168
PNG
(CHEMBL4541269)
Show SMILES COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C
Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bionomics Limited

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


ACS Med Chem Lett 10: 754-760 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00001
BindingDB Entry DOI: 10.7270/Q25D8W77
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50516168
PNG
(CHEMBL4541269)
Show SMILES COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C
Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bionomics Limited

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


ACS Med Chem Lett 10: 754-760 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00001
BindingDB Entry DOI: 10.7270/Q25D8W77
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50319936
PNG
((1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-di...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C16H18N4/c1-19-10-14-9-13(19)11-20(14)16-8-7-15(17-18-16)12-5-3-2-4-6-12/h2-8,13-14H,9-11H2,1H3/t13-,14-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells by fluorescent calcium assay


Eur J Med Chem 95: 277-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.025
BindingDB Entry DOI: 10.7270/Q2DN46RR
More data for this
Ligand-Target Pair
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