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Compile Data Set for Download or QSAR

Found 276 hits with Last Name = 'spracklin' and Initial = 'dk'   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401001
PNG
(CHEMBL2206288)
Show SMILES C([C@H]1C[C@H](C1)c1ccc(CN2CCCC2)cc1)N1CCOCC1 |r,wU:3.5,1.0,(12.44,-17.63,;13.93,-17.23,;14.7,-15.89,;16.03,-16.66,;15.26,-18,;17.52,-16.26,;18.61,-17.35,;20.1,-16.95,;20.5,-15.47,;21.98,-15.07,;23.07,-16.16,;22.83,-17.68,;24.2,-18.38,;25.29,-17.29,;24.59,-15.92,;19.41,-14.38,;17.92,-14.78,;11.35,-16.54,;11.75,-15.05,;10.66,-13.96,;9.18,-14.36,;8.78,-15.85,;9.87,-16.93,)|
Show InChI InChI=1S/C20H30N2O/c1-2-8-21(7-1)15-17-3-5-19(6-4-17)20-13-18(14-20)16-22-9-11-23-12-10-22/h3-6,18,20H,1-2,7-16H2/t18-,20+
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0.890n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401001
PNG
(CHEMBL2206288)
Show SMILES C([C@H]1C[C@H](C1)c1ccc(CN2CCCC2)cc1)N1CCOCC1 |r,wU:3.5,1.0,(12.44,-17.63,;13.93,-17.23,;14.7,-15.89,;16.03,-16.66,;15.26,-18,;17.52,-16.26,;18.61,-17.35,;20.1,-16.95,;20.5,-15.47,;21.98,-15.07,;23.07,-16.16,;22.83,-17.68,;24.2,-18.38,;25.29,-17.29,;24.59,-15.92,;19.41,-14.38,;17.92,-14.78,;11.35,-16.54,;11.75,-15.05,;10.66,-13.96,;9.18,-14.36,;8.78,-15.85,;9.87,-16.93,)|
Show InChI InChI=1S/C20H30N2O/c1-2-8-21(7-1)15-17-3-5-19(6-4-17)20-13-18(14-20)16-22-9-11-23-12-10-22/h3-6,18,20H,1-2,7-16H2/t18-,20+
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0.891n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309873
PNG
(4-(6-Chlorooxazolo[4,5-b]pyridin-2-yl)-1,4-diazabi...)
Show SMILES Clc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(-1.41,-19.11,;-1.97,-20.56,;-.99,-21.77,;-1.55,-23.21,;-3.08,-23.45,;-3.94,-24.73,;-5.43,-24.32,;-5.49,-22.78,;-4.05,-22.24,;-3.49,-20.8,;-6.76,-25.09,;-6.39,-26.56,;-7.4,-25.84,;-8.78,-25.91,;-8.85,-24.2,;-8.23,-23.06,;-8.17,-24.47,;-9.47,-25.17,;-9.77,-26.61,)|
Show InChI InChI=1S/C13H15ClN4O/c14-9-7-11-12(15-8-9)16-13(19-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401002
PNG
(CHEMBL2206292)
Show SMILES CC(C)CNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:7.6,wD:9.9,(6.68,-19.62,;6.28,-18.13,;4.79,-17.73,;7.37,-17.04,;8.85,-17.44,;9.94,-16.35,;9.54,-14.87,;11.43,-16.75,;12.76,-15.98,;13.53,-17.32,;14.3,-18.65,;12.2,-18.09,;14.87,-16.55,;14.87,-15.01,;16.2,-14.24,;17.54,-15.01,;18.87,-14.24,;20.2,-15.01,;20.36,-16.54,;21.87,-16.86,;22.64,-15.52,;21.61,-14.38,;17.54,-16.55,;18.87,-17.32,;16.2,-17.32,)|
Show InChI InChI=1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)/t16-,20-
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1.05n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50309864
PNG
(4-(5-Chlorobenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2...)
Show SMILES Clc1ccc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(33.87,4.67,;32.34,4.44,;31.36,5.65,;29.84,5.41,;29.28,3.97,;27.84,3.42,;27.9,1.89,;29.4,1.48,;30.25,2.76,;31.78,2.99,;26.57,1.11,;26.94,-.35,;25.94,.37,;24.56,.3,;24.48,2.01,;25.1,3.15,;25.16,1.74,;23.87,1.03,;23.57,-.41,)|
Show InChI InChI=1S/C14H16ClN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2
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1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from mouse 5HT3 receptor expressed in HEK293 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401002
PNG
(CHEMBL2206292)
Show SMILES CC(C)CNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:7.6,wD:9.9,(6.68,-19.62,;6.28,-18.13,;4.79,-17.73,;7.37,-17.04,;8.85,-17.44,;9.94,-16.35,;9.54,-14.87,;11.43,-16.75,;12.76,-15.98,;13.53,-17.32,;14.3,-18.65,;12.2,-18.09,;14.87,-16.55,;14.87,-15.01,;16.2,-14.24,;17.54,-15.01,;18.87,-14.24,;20.2,-15.01,;20.36,-16.54,;21.87,-16.86,;22.64,-15.52,;21.61,-14.38,;17.54,-16.55,;18.87,-17.32,;16.2,-17.32,)|
Show InChI InChI=1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)/t16-,20-
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1.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401007
PNG
(CHEMBL209478)
Show SMILES CN(C)Cc1ccc(cc1)-c1ccc(CN(C)C)cc1
Show InChI InChI=1S/C18H24N2/c1-19(2)13-15-5-9-17(10-6-15)18-11-7-16(8-12-18)14-20(3)4/h5-12H,13-14H2,1-4H3
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1.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401007
PNG
(CHEMBL209478)
Show SMILES CN(C)Cc1ccc(cc1)-c1ccc(CN(C)C)cc1
Show InChI InChI=1S/C18H24N2/c1-19(2)13-15-5-9-17(10-6-15)18-11-7-16(8-12-18)14-20(3)4/h5-12H,13-14H2,1-4H3
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1.32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401002
PNG
(CHEMBL2206292)
Show SMILES CC(C)CNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:7.6,wD:9.9,(6.68,-19.62,;6.28,-18.13,;4.79,-17.73,;7.37,-17.04,;8.85,-17.44,;9.94,-16.35,;9.54,-14.87,;11.43,-16.75,;12.76,-15.98,;13.53,-17.32,;14.3,-18.65,;12.2,-18.09,;14.87,-16.55,;14.87,-15.01,;16.2,-14.24,;17.54,-15.01,;18.87,-14.24,;20.2,-15.01,;20.36,-16.54,;21.87,-16.86,;22.64,-15.52,;21.61,-14.38,;17.54,-16.55,;18.87,-17.32,;16.2,-17.32,)|
Show InChI InChI=1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)/t16-,20-
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401002
PNG
(CHEMBL2206292)
Show SMILES CC(C)CNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:7.6,wD:9.9,(6.68,-19.62,;6.28,-18.13,;4.79,-17.73,;7.37,-17.04,;8.85,-17.44,;9.94,-16.35,;9.54,-14.87,;11.43,-16.75,;12.76,-15.98,;13.53,-17.32,;14.3,-18.65,;12.2,-18.09,;14.87,-16.55,;14.87,-15.01,;16.2,-14.24,;17.54,-15.01,;18.87,-14.24,;20.2,-15.01,;20.36,-16.54,;21.87,-16.86,;22.64,-15.52,;21.61,-14.38,;17.54,-16.55,;18.87,-17.32,;16.2,-17.32,)|
Show InChI InChI=1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)/t16-,20-
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1.45n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401004
PNG
(CHEMBL2206291)
Show SMILES CCN(C)C(=O)[C@H]1C[C@H](C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:6.5,8.10,(5.81,-12.97,;6.58,-14.3,;8.12,-14.3,;8.89,-12.97,;8.89,-15.64,;8.12,-16.97,;10.43,-15.64,;11.51,-14.55,;12.6,-15.64,;11.51,-16.72,;14.14,-15.64,;14.91,-14.3,;16.45,-14.3,;17.22,-15.64,;18.76,-15.64,;19.53,-14.3,;21.06,-14.14,;21.39,-12.63,;20.05,-11.86,;18.91,-12.89,;16.45,-16.97,;17.22,-18.3,;14.91,-16.97,)|
Show InChI InChI=1S/C19H27FN2O/c1-3-21(2)19(23)17-10-16(11-17)14-6-7-15(18(20)12-14)13-22-8-4-5-9-22/h6-7,12,16-17H,3-5,8-11,13H2,1-2H3/t16-,17+
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1.48n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401004
PNG
(CHEMBL2206291)
Show SMILES CCN(C)C(=O)[C@H]1C[C@H](C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:6.5,8.10,(5.81,-12.97,;6.58,-14.3,;8.12,-14.3,;8.89,-12.97,;8.89,-15.64,;8.12,-16.97,;10.43,-15.64,;11.51,-14.55,;12.6,-15.64,;11.51,-16.72,;14.14,-15.64,;14.91,-14.3,;16.45,-14.3,;17.22,-15.64,;18.76,-15.64,;19.53,-14.3,;21.06,-14.14,;21.39,-12.63,;20.05,-11.86,;18.91,-12.89,;16.45,-16.97,;17.22,-18.3,;14.91,-16.97,)|
Show InChI InChI=1S/C19H27FN2O/c1-3-21(2)19(23)17-10-16(11-17)14-6-7-15(18(20)12-14)13-22-8-4-5-9-22/h6-7,12,16-17H,3-5,8-11,13H2,1-2H3/t16-,17+
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1.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401003
PNG
(CHEMBL2151197)
Show SMILES CCNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:5.4,wD:7.7,(15.4,-34.66,;16.73,-35.43,;18.07,-34.66,;19.4,-35.43,;19.4,-36.97,;20.73,-34.66,;21.13,-33.17,;22.62,-33.57,;23.84,-34.51,;22.22,-35.06,;23.95,-32.81,;25.29,-33.58,;26.62,-32.81,;26.62,-31.26,;27.95,-30.48,;29.28,-31.25,;29.46,-32.78,;30.97,-33.09,;31.73,-31.76,;30.7,-30.62,;25.28,-30.5,;25.28,-28.96,;23.95,-31.27,)|
Show InChI InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18-
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401003
PNG
(CHEMBL2151197)
Show SMILES CCNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:5.4,wD:7.7,(15.4,-34.66,;16.73,-35.43,;18.07,-34.66,;19.4,-35.43,;19.4,-36.97,;20.73,-34.66,;21.13,-33.17,;22.62,-33.57,;23.84,-34.51,;22.22,-35.06,;23.95,-32.81,;25.29,-33.58,;26.62,-32.81,;26.62,-31.26,;27.95,-30.48,;29.28,-31.25,;29.46,-32.78,;30.97,-33.09,;31.73,-31.76,;30.7,-30.62,;25.28,-30.5,;25.28,-28.96,;23.95,-31.27,)|
Show InChI InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18-
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309897
PNG
(2-(1,4-Diazabicyclo[3.2.2]nonan-4-yl)-5-(pyrrolidi...)
Show SMILES C1CCN(C1)c1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:10:14:19.18:21.22,(20.91,-33.41,;20.89,-31.87,;19.42,-31.41,;18.52,-32.67,;19.45,-33.91,;16.98,-32.69,;16,-31.49,;14.48,-31.72,;13.92,-33.16,;12.48,-33.7,;12.54,-35.24,;14.04,-35.65,;14.89,-34.37,;16.41,-34.13,;11.22,-36.01,;11.58,-37.48,;10.58,-36.75,;9.2,-36.82,;9.13,-35.12,;9.75,-33.98,;9.81,-35.39,;8.51,-36.09,;8.21,-37.53,)|
Show InChI InChI=1S/C17H23N5O/c1-2-8-21(7-1)15-4-3-14-16(18-15)19-17(23-14)22-12-11-20-9-5-13(22)6-10-20/h3-4,13H,1-2,5-12H2
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1.91n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309864
PNG
(4-(5-Chlorobenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2...)
Show SMILES Clc1ccc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(33.87,4.67,;32.34,4.44,;31.36,5.65,;29.84,5.41,;29.28,3.97,;27.84,3.42,;27.9,1.89,;29.4,1.48,;30.25,2.76,;31.78,2.99,;26.57,1.11,;26.94,-.35,;25.94,.37,;24.56,.3,;24.48,2.01,;25.1,3.15,;25.16,1.74,;23.87,1.03,;23.57,-.41,)|
Show InChI InChI=1S/C14H16ClN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2
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1.92n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309872
PNG
(4-(6-Bromooxazolo[4,5-b]pyridin-2-yl)-1,4-diazabic...)
Show SMILES Brc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(31.84,-7.59,;31.28,-9.04,;32.26,-10.25,;31.7,-11.69,;30.17,-11.93,;29.32,-13.21,;27.82,-12.8,;27.76,-11.26,;29.2,-10.72,;29.76,-9.28,;26.49,-13.57,;26.86,-15.04,;25.85,-14.32,;24.48,-14.39,;24.4,-12.68,;25.02,-11.54,;25.08,-12.95,;23.79,-13.65,;23.49,-15.09,)|
Show InChI InChI=1S/C13H15BrN4O/c14-9-7-11-12(15-8-9)16-13(19-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2
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2.08n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309865
PNG
(4-(5-Bromobenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2]...)
Show SMILES Brc1ccc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(.18,-3.78,;-1.35,-4.01,;-2.33,-2.8,;-3.85,-3.04,;-4.41,-4.48,;-5.85,-5.03,;-5.79,-6.56,;-4.3,-6.97,;-3.44,-5.69,;-1.92,-5.46,;-7.12,-7.33,;-6.75,-8.8,;-7.76,-8.08,;-9.13,-8.15,;-9.21,-6.44,;-8.59,-5.3,;-8.53,-6.71,;-9.82,-7.41,;-10.12,-8.86,)|
Show InChI InChI=1S/C14H16BrN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2
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2.15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401001
PNG
(CHEMBL2206288)
Show SMILES C([C@H]1C[C@H](C1)c1ccc(CN2CCCC2)cc1)N1CCOCC1 |r,wU:3.5,1.0,(12.44,-17.63,;13.93,-17.23,;14.7,-15.89,;16.03,-16.66,;15.26,-18,;17.52,-16.26,;18.61,-17.35,;20.1,-16.95,;20.5,-15.47,;21.98,-15.07,;23.07,-16.16,;22.83,-17.68,;24.2,-18.38,;25.29,-17.29,;24.59,-15.92,;19.41,-14.38,;17.92,-14.78,;11.35,-16.54,;11.75,-15.05,;10.66,-13.96,;9.18,-14.36,;8.78,-15.85,;9.87,-16.93,)|
Show InChI InChI=1S/C20H30N2O/c1-2-8-21(7-1)15-17-3-5-19(6-4-17)20-13-18(14-20)16-22-9-11-23-12-10-22/h3-6,18,20H,1-2,7-16H2/t18-,20+
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2.19n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401001
PNG
(CHEMBL2206288)
Show SMILES C([C@H]1C[C@H](C1)c1ccc(CN2CCCC2)cc1)N1CCOCC1 |r,wU:3.5,1.0,(12.44,-17.63,;13.93,-17.23,;14.7,-15.89,;16.03,-16.66,;15.26,-18,;17.52,-16.26,;18.61,-17.35,;20.1,-16.95,;20.5,-15.47,;21.98,-15.07,;23.07,-16.16,;22.83,-17.68,;24.2,-18.38,;25.29,-17.29,;24.59,-15.92,;19.41,-14.38,;17.92,-14.78,;11.35,-16.54,;11.75,-15.05,;10.66,-13.96,;9.18,-14.36,;8.78,-15.85,;9.87,-16.93,)|
Show InChI InChI=1S/C20H30N2O/c1-2-8-21(7-1)15-17-3-5-19(6-4-17)20-13-18(14-20)16-22-9-11-23-12-10-22/h3-6,18,20H,1-2,7-16H2/t18-,20+
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2.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401003
PNG
(CHEMBL2151197)
Show SMILES CCNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:5.4,wD:7.7,(15.4,-34.66,;16.73,-35.43,;18.07,-34.66,;19.4,-35.43,;19.4,-36.97,;20.73,-34.66,;21.13,-33.17,;22.62,-33.57,;23.84,-34.51,;22.22,-35.06,;23.95,-32.81,;25.29,-33.58,;26.62,-32.81,;26.62,-31.26,;27.95,-30.48,;29.28,-31.25,;29.46,-32.78,;30.97,-33.09,;31.73,-31.76,;30.7,-30.62,;25.28,-30.5,;25.28,-28.96,;23.95,-31.27,)|
Show InChI InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18-
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2.29n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401003
PNG
(CHEMBL2151197)
Show SMILES CCNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:5.4,wD:7.7,(15.4,-34.66,;16.73,-35.43,;18.07,-34.66,;19.4,-35.43,;19.4,-36.97,;20.73,-34.66,;21.13,-33.17,;22.62,-33.57,;23.84,-34.51,;22.22,-35.06,;23.95,-32.81,;25.29,-33.58,;26.62,-32.81,;26.62,-31.26,;27.95,-30.48,;29.28,-31.25,;29.46,-32.78,;30.97,-33.09,;31.73,-31.76,;30.7,-30.62,;25.28,-30.5,;25.28,-28.96,;23.95,-31.27,)|
Show InChI InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18-
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2.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309880
PNG
(4-(6-Phenyloxazolo[5,4-b]pyridin-2-yl)-1,4-diazabi...)
Show SMILES C1CN2CCC1N(CC2)c1nc2cc(cnc2o1)-c1ccccc1 |TLB:9:6:0.1:4.3,(-10.27,-43.52,;-10.9,-44.66,;-10.81,-46.36,;-11.81,-47.07,;-11.51,-45.63,;-10.21,-44.93,;-8.8,-45.55,;-8.44,-47.01,;-9.44,-46.29,;-7.48,-44.78,;-5.99,-45.19,;-5.14,-43.91,;-3.61,-43.68,;-3.05,-42.24,;-4.03,-41.03,;-5.55,-41.27,;-6.1,-42.7,;-7.54,-43.25,;-1.71,-41.48,;-.39,-42.27,;.96,-41.51,;.97,-39.96,;-.37,-39.18,;-1.71,-39.94,)|
Show InChI InChI=1S/C19H20N4O/c1-2-4-14(5-3-1)15-12-17-18(20-13-15)24-19(21-17)23-11-10-22-8-6-16(23)7-9-22/h1-5,12-13,16H,6-11H2
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2.31n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309879
PNG
(2-(6-Chlorooxazolo[5,4-b]pyridin-2-yl)-2,5-diazabi...)
Show SMILES Clc1cnc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(32.86,-26.98,;31.33,-27.22,;30.35,-26.01,;28.83,-26.25,;28.27,-27.69,;26.83,-28.23,;26.89,-29.77,;28.39,-30.18,;29.24,-28.9,;30.77,-28.66,;25.56,-30.54,;25.93,-32.01,;24.92,-31.29,;23.55,-31.36,;23.47,-29.65,;24.09,-28.51,;24.15,-29.92,;22.85,-30.62,;22.55,-32.06,)|
Show InChI InChI=1S/C13H15ClN4O/c14-9-7-11-12(15-8-9)19-13(16-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2
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2.59n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309888
PNG
(4-(6-Chloro-5-methyloxazolo[4,5-b]pyridin-2-yl)-1,...)
Show SMILES Cc1nc2nc(oc2cc1Cl)N1CCN2CCC1CC2 |TLB:5:11:16.15:18.19,(1.04,-10.22,;-.49,-10.46,;-1.05,-11.9,;-2.58,-12.13,;-3.43,-13.41,;-4.92,-13,;-4.98,-11.47,;-3.54,-10.92,;-2.99,-9.49,;-1.46,-9.25,;-.9,-7.79,;-6.25,-13.78,;-5.89,-15.24,;-6.89,-14.52,;-8.27,-14.59,;-8.34,-12.89,;-7.73,-11.74,;-7.66,-13.15,;-8.96,-13.86,;-9.26,-15.3,)|
Show InChI InChI=1S/C14H17ClN4O/c1-9-11(15)8-12-13(16-9)17-14(20-12)19-7-6-18-4-2-10(19)3-5-18/h8,10H,2-7H2,1H3
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3.19n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309892
PNG
(2-(5-Phenyloxazolo[4,5-b]pyridin-2-yl)-2,5-diazabi...)
Show SMILES C1CN2CCC1N(CC2)c1nc2nc(ccc2o1)-c1ccccc1 |TLB:9:6:0.1:4.3,(-8.33,-22.75,;-8.95,-23.89,;-8.87,-25.59,;-9.86,-26.3,;-9.56,-24.86,;-8.27,-24.16,;-6.86,-24.78,;-6.49,-26.25,;-7.5,-25.53,;-5.53,-24.01,;-4.04,-24.42,;-3.19,-23.14,;-1.66,-22.9,;-1.1,-21.46,;-2.07,-20.26,;-3.6,-20.5,;-4.15,-21.93,;-5.59,-22.48,;.25,-20.71,;1.57,-21.5,;2.92,-20.74,;2.94,-19.2,;1.6,-18.41,;.26,-19.17,)|
Show InChI InChI=1S/C19H20N4O/c1-2-4-14(5-3-1)16-6-7-17-18(20-16)21-19(24-17)23-13-12-22-10-8-15(23)9-11-22/h1-7,15H,8-13H2
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3.22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401005
PNG
(CHEMBL2206290)
Show SMILES CN(C[C@H]1C[C@@H](C1)c1ccc(CN2CCCC2)c(Cl)c1)C(C)=O |r,wU:5.7,wD:3.2,(8.86,-17.88,;8.17,-16.51,;9.01,-15.22,;10.55,-15.3,;11.58,-16.45,;12.72,-15.42,;11.7,-14.28,;14.26,-15.51,;14.96,-16.88,;16.49,-16.97,;17.34,-15.68,;18.87,-15.77,;19.57,-17.14,;21.09,-17.39,;21.33,-18.91,;19.95,-19.6,;18.87,-18.51,;16.64,-14.31,;17.49,-13.02,;15.1,-14.22,;6.63,-16.42,;5.94,-15.05,;5.79,-17.71,)|
Show InChI InChI=1S/C19H27ClN2O/c1-14(23)21(2)12-15-9-18(10-15)16-5-6-17(19(20)11-16)13-22-7-3-4-8-22/h5-6,11,15,18H,3-4,7-10,12-13H2,1-2H3/t15-,18-
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3.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401005
PNG
(CHEMBL2206290)
Show SMILES CN(C[C@H]1C[C@@H](C1)c1ccc(CN2CCCC2)c(Cl)c1)C(C)=O |r,wU:5.7,wD:3.2,(8.86,-17.88,;8.17,-16.51,;9.01,-15.22,;10.55,-15.3,;11.58,-16.45,;12.72,-15.42,;11.7,-14.28,;14.26,-15.51,;14.96,-16.88,;16.49,-16.97,;17.34,-15.68,;18.87,-15.77,;19.57,-17.14,;21.09,-17.39,;21.33,-18.91,;19.95,-19.6,;18.87,-18.51,;16.64,-14.31,;17.49,-13.02,;15.1,-14.22,;6.63,-16.42,;5.94,-15.05,;5.79,-17.71,)|
Show InChI InChI=1S/C19H27ClN2O/c1-14(23)21(2)12-15-9-18(10-15)16-5-6-17(19(20)11-16)13-22-7-3-4-8-22/h5-6,11,15,18H,3-4,7-10,12-13H2,1-2H3/t15-,18-
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3.31n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50309866
PNG
(4-(5-Methylbenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2...)
Show SMILES Cc1ccc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(11.7,-3.08,;10.17,-3.31,;9.19,-2.1,;7.67,-2.34,;7.11,-3.78,;5.67,-4.33,;5.73,-5.86,;7.23,-6.27,;8.08,-4.99,;9.61,-4.76,;4.4,-6.63,;4.77,-8.1,;3.76,-7.38,;2.39,-7.45,;2.31,-5.74,;2.93,-4.6,;2.99,-6.01,;1.7,-6.71,;1.4,-8.15,)|
Show InChI InChI=1S/C15H19N3O/c1-11-2-3-14-13(10-11)16-15(19-14)18-9-8-17-6-4-12(18)5-7-17/h2-3,10,12H,4-9H2,1H3
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3.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from mouse 5HT3 receptor expressed in HEK293 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309893
PNG
(2-(5-(2-Fluorophenyl)oxazolo[4,5-b]pyridin-2-yl)-2...)
Show SMILES Fc1ccccc1-c1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:12:16:21.20:23.24,(13.59,-22.93,;13.62,-21.39,;14.96,-20.63,;14.98,-19.08,;13.64,-18.29,;12.3,-19.05,;12.29,-20.59,;10.94,-21.35,;9.97,-20.14,;8.45,-20.38,;7.89,-21.81,;6.45,-22.36,;6.51,-23.89,;8,-24.3,;8.86,-23.02,;10.38,-22.79,;5.18,-24.67,;5.55,-26.13,;4.55,-25.41,;3.17,-25.48,;3.1,-23.78,;3.71,-22.63,;3.77,-24.05,;2.48,-24.75,;2.18,-26.19,)|
Show InChI InChI=1S/C19H19FN4O/c20-15-4-2-1-3-14(15)16-5-6-17-18(21-16)22-19(25-17)24-12-11-23-9-7-13(24)8-10-23/h1-6,13H,7-12H2
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3.45n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50401001
PNG
(CHEMBL2206288)
Show SMILES C([C@H]1C[C@H](C1)c1ccc(CN2CCCC2)cc1)N1CCOCC1 |r,wU:3.5,1.0,(12.44,-17.63,;13.93,-17.23,;14.7,-15.89,;16.03,-16.66,;15.26,-18,;17.52,-16.26,;18.61,-17.35,;20.1,-16.95,;20.5,-15.47,;21.98,-15.07,;23.07,-16.16,;22.83,-17.68,;24.2,-18.38,;25.29,-17.29,;24.59,-15.92,;19.41,-14.38,;17.92,-14.78,;11.35,-16.54,;11.75,-15.05,;10.66,-13.96,;9.18,-14.36,;8.78,-15.85,;9.87,-16.93,)|
Show InChI InChI=1S/C20H30N2O/c1-2-8-21(7-1)15-17-3-5-19(6-4-17)20-13-18(14-20)16-22-9-11-23-12-10-22/h3-6,18,20H,1-2,7-16H2/t18-,20+
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3.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated 10...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50401001
PNG
(CHEMBL2206288)
Show SMILES C([C@H]1C[C@H](C1)c1ccc(CN2CCCC2)cc1)N1CCOCC1 |r,wU:3.5,1.0,(12.44,-17.63,;13.93,-17.23,;14.7,-15.89,;16.03,-16.66,;15.26,-18,;17.52,-16.26,;18.61,-17.35,;20.1,-16.95,;20.5,-15.47,;21.98,-15.07,;23.07,-16.16,;22.83,-17.68,;24.2,-18.38,;25.29,-17.29,;24.59,-15.92,;19.41,-14.38,;17.92,-14.78,;11.35,-16.54,;11.75,-15.05,;10.66,-13.96,;9.18,-14.36,;8.78,-15.85,;9.87,-16.93,)|
Show InChI InChI=1S/C20H30N2O/c1-2-8-21(7-1)15-17-3-5-19(6-4-17)20-13-18(14-20)16-22-9-11-23-12-10-22/h3-6,18,20H,1-2,7-16H2/t18-,20+
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3.55n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated 10...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50309863
PNG
(4-(5-Fluorobenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2...)
Show SMILES Fc1ccc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(22.74,5.07,;21.21,4.83,;20.23,6.04,;18.71,5.8,;18.15,4.37,;16.71,3.82,;16.77,2.29,;18.27,1.88,;19.12,3.16,;20.65,3.39,;15.44,1.51,;15.81,.04,;14.8,.77,;13.43,.7,;13.35,2.4,;13.97,3.55,;14.03,2.13,;12.74,1.43,;12.44,-.01,)|
Show InChI InChI=1S/C14H16FN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2
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3.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from mouse 5HT3 receptor expressed in HEK293 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401004
PNG
(CHEMBL2206291)
Show SMILES CCN(C)C(=O)[C@H]1C[C@H](C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:6.5,8.10,(5.81,-12.97,;6.58,-14.3,;8.12,-14.3,;8.89,-12.97,;8.89,-15.64,;8.12,-16.97,;10.43,-15.64,;11.51,-14.55,;12.6,-15.64,;11.51,-16.72,;14.14,-15.64,;14.91,-14.3,;16.45,-14.3,;17.22,-15.64,;18.76,-15.64,;19.53,-14.3,;21.06,-14.14,;21.39,-12.63,;20.05,-11.86,;18.91,-12.89,;16.45,-16.97,;17.22,-18.3,;14.91,-16.97,)|
Show InChI InChI=1S/C19H27FN2O/c1-3-21(2)19(23)17-10-16(11-17)14-6-7-15(18(20)12-14)13-22-8-4-5-9-22/h6-7,12,16-17H,3-5,8-11,13H2,1-2H3/t16-,17+
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3.98n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401004
PNG
(CHEMBL2206291)
Show SMILES CCN(C)C(=O)[C@H]1C[C@H](C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:6.5,8.10,(5.81,-12.97,;6.58,-14.3,;8.12,-14.3,;8.89,-12.97,;8.89,-15.64,;8.12,-16.97,;10.43,-15.64,;11.51,-14.55,;12.6,-15.64,;11.51,-16.72,;14.14,-15.64,;14.91,-14.3,;16.45,-14.3,;17.22,-15.64,;18.76,-15.64,;19.53,-14.3,;21.06,-14.14,;21.39,-12.63,;20.05,-11.86,;18.91,-12.89,;16.45,-16.97,;17.22,-18.3,;14.91,-16.97,)|
Show InChI InChI=1S/C19H27FN2O/c1-3-21(2)19(23)17-10-16(11-17)14-6-7-15(18(20)12-14)13-22-8-4-5-9-22/h6-7,12,16-17H,3-5,8-11,13H2,1-2H3/t16-,17+
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309886
PNG
(2-(6-Phenoxyoxazolo[4,5-b]pyridin-2-yl)-2,5-diazab...)
Show SMILES C1CN2CCC1N(CC2)c1nc2ncc(Oc3ccccc3)cc2o1 |TLB:9:6:0.1:4.3,(12.67,-1.62,;12.06,-2.77,;12.13,-4.47,;11.15,-5.17,;11.44,-3.73,;12.74,-3.03,;14.14,-3.65,;14.51,-5.12,;13.51,-4.4,;15.47,-2.88,;16.96,-3.29,;17.81,-2.01,;19.34,-1.78,;19.9,-.34,;18.92,.87,;19.48,2.32,;20.83,3.08,;22.17,2.29,;23.52,3.05,;23.53,4.6,;22.18,5.39,;20.84,4.62,;17.4,.63,;16.85,-.81,;15.41,-1.35,)|
Show InChI InChI=1S/C19H20N4O2/c1-2-4-15(5-3-1)24-16-12-17-18(20-13-16)21-19(25-17)23-11-10-22-8-6-14(23)7-9-22/h1-5,12-14H,6-11H2
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4.16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309891
PNG
(2-(5-Cyclopentyloxazolo[4,5-b]pyridin-2-yl)-2,5-di...)
Show SMILES C1CCC(C1)c1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:10:14:19.18:21.22,(36.18,-10.06,;35.94,-8.53,;34.41,-8.28,;33.71,-9.66,;34.8,-10.75,;32.18,-9.9,;31.21,-8.69,;29.69,-8.93,;29.13,-10.36,;27.69,-10.91,;27.75,-12.44,;29.24,-12.85,;30.1,-11.57,;31.62,-11.34,;26.42,-13.21,;26.79,-14.68,;25.79,-13.96,;24.41,-14.03,;24.34,-12.33,;24.95,-11.18,;25.02,-12.59,;23.72,-13.3,;23.42,-14.73,)|
Show InChI InChI=1S/C18H24N4O/c1-2-4-13(3-1)15-5-6-16-17(19-15)20-18(23-16)22-12-11-21-9-7-14(22)8-10-21/h5-6,13-14H,1-4,7-12H2
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5.30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309882
PNG
(4-(6-Cyanooxazolo[4,5-b]pyridin-2-yl)-1,4-diazabic...)
Show SMILES N#Cc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:7:11:16.15:18.19,(18.05,-37.42,;17.5,-38.87,;16.94,-40.32,;17.92,-41.53,;17.36,-42.97,;15.83,-43.2,;14.98,-44.48,;13.48,-44.07,;13.42,-42.54,;14.86,-41.99,;15.42,-40.56,;12.15,-44.85,;12.52,-46.31,;11.51,-45.59,;10.14,-45.66,;10.06,-43.96,;10.68,-42.81,;10.74,-44.22,;9.45,-44.93,;9.15,-46.37,)|
Show InChI InChI=1S/C14H15N5O/c15-8-10-7-12-13(16-9-10)17-14(20-12)19-6-5-18-3-1-11(19)2-4-18/h7,9,11H,1-6H2
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6.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309875
PNG
(4-(6-Methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabi...)
Show SMILES Cc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(18.8,-18.14,;18.24,-19.59,;19.22,-20.8,;18.66,-22.24,;17.13,-22.47,;16.28,-23.76,;14.78,-23.34,;14.72,-21.81,;16.16,-21.26,;16.72,-19.83,;13.45,-24.12,;13.82,-25.59,;12.81,-24.86,;11.44,-24.93,;11.36,-23.23,;11.98,-22.08,;12.04,-23.5,;10.75,-24.2,;10.45,-25.64,)|
Show InChI InChI=1S/C14H18N4O/c1-10-8-12-13(15-9-10)16-14(19-12)18-7-6-17-4-2-11(18)3-5-17/h8-9,11H,2-7H2,1H3
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6.66n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309878
PNG
(4-(6-Phenyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabi...)
Show SMILES C1CN2CCC1N(CC2)c1nc2ncc(cc2o1)-c1ccccc1 |TLB:9:6:0.1:4.3,(.58,-33.05,;-.04,-34.19,;.04,-35.89,;-.95,-36.59,;-.65,-35.16,;.64,-34.46,;2.04,-35.08,;2.41,-36.54,;1.4,-35.82,;3.36,-34.31,;4.85,-34.72,;5.7,-33.44,;7.22,-33.21,;7.78,-31.77,;6.8,-30.57,;5.29,-30.81,;4.74,-32.24,;3.3,-32.78,;7.56,-29.22,;9.11,-29.2,;9.86,-27.86,;9.07,-26.53,;7.52,-26.55,;6.77,-27.9,)|
Show InChI InChI=1S/C19H20N4O/c1-2-4-14(5-3-1)15-12-17-18(20-13-15)21-19(24-17)23-11-10-22-8-6-16(23)7-9-22/h1-5,12-13,16H,6-11H2
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7.04n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50401001
PNG
(CHEMBL2206288)
Show SMILES C([C@H]1C[C@H](C1)c1ccc(CN2CCCC2)cc1)N1CCOCC1 |r,wU:3.5,1.0,(12.44,-17.63,;13.93,-17.23,;14.7,-15.89,;16.03,-16.66,;15.26,-18,;17.52,-16.26,;18.61,-17.35,;20.1,-16.95,;20.5,-15.47,;21.98,-15.07,;23.07,-16.16,;22.83,-17.68,;24.2,-18.38,;25.29,-17.29,;24.59,-15.92,;19.41,-14.38,;17.92,-14.78,;11.35,-16.54,;11.75,-15.05,;10.66,-13.96,;9.18,-14.36,;8.78,-15.85,;9.87,-16.93,)|
Show InChI InChI=1S/C20H30N2O/c1-2-8-21(7-1)15-17-3-5-19(6-4-17)20-13-18(14-20)16-22-9-11-23-12-10-22/h3-6,18,20H,1-2,7-16H2/t18-,20+
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UniChem
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PubMed
7.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from rat histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50401001
PNG
(CHEMBL2206288)
Show SMILES C([C@H]1C[C@H](C1)c1ccc(CN2CCCC2)cc1)N1CCOCC1 |r,wU:3.5,1.0,(12.44,-17.63,;13.93,-17.23,;14.7,-15.89,;16.03,-16.66,;15.26,-18,;17.52,-16.26,;18.61,-17.35,;20.1,-16.95,;20.5,-15.47,;21.98,-15.07,;23.07,-16.16,;22.83,-17.68,;24.2,-18.38,;25.29,-17.29,;24.59,-15.92,;19.41,-14.38,;17.92,-14.78,;11.35,-16.54,;11.75,-15.05,;10.66,-13.96,;9.18,-14.36,;8.78,-15.85,;9.87,-16.93,)|
Show InChI InChI=1S/C20H30N2O/c1-2-8-21(7-1)15-17-3-5-19(6-4-17)20-13-18(14-20)16-22-9-11-23-12-10-22/h3-6,18,20H,1-2,7-16H2/t18-,20+
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7.76n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from rat histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50401002
PNG
(CHEMBL2206292)
Show SMILES CC(C)CNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:7.6,wD:9.9,(6.68,-19.62,;6.28,-18.13,;4.79,-17.73,;7.37,-17.04,;8.85,-17.44,;9.94,-16.35,;9.54,-14.87,;11.43,-16.75,;12.76,-15.98,;13.53,-17.32,;14.3,-18.65,;12.2,-18.09,;14.87,-16.55,;14.87,-15.01,;16.2,-14.24,;17.54,-15.01,;18.87,-14.24,;20.2,-15.01,;20.36,-16.54,;21.87,-16.86,;22.64,-15.52,;21.61,-14.38,;17.54,-16.55,;18.87,-17.32,;16.2,-17.32,)|
Show InChI InChI=1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)/t16-,20-
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7.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated 10...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50401002
PNG
(CHEMBL2206292)
Show SMILES CC(C)CNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:7.6,wD:9.9,(6.68,-19.62,;6.28,-18.13,;4.79,-17.73,;7.37,-17.04,;8.85,-17.44,;9.94,-16.35,;9.54,-14.87,;11.43,-16.75,;12.76,-15.98,;13.53,-17.32,;14.3,-18.65,;12.2,-18.09,;14.87,-16.55,;14.87,-15.01,;16.2,-14.24,;17.54,-15.01,;18.87,-14.24,;20.2,-15.01,;20.36,-16.54,;21.87,-16.86,;22.64,-15.52,;21.61,-14.38,;17.54,-16.55,;18.87,-17.32,;16.2,-17.32,)|
Show InChI InChI=1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)/t16-,20-
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7.94n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated 10...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401006
PNG
(CHEMBL2206289)
Show SMILES C(Oc1ncccn1)[C@H]1C[C@@H](C1)c1ccc(CN2CCCC2)cc1 |r,wU:10.13,wD:8.8,(11.52,-15.55,;10.75,-14.22,;9.21,-14.22,;8.44,-15.55,;6.9,-15.55,;6.13,-14.22,;6.9,-12.88,;8.44,-12.88,;13.06,-15.55,;14.15,-16.64,;15.24,-15.55,;14.15,-14.46,;16.78,-15.55,;17.55,-14.22,;19.09,-14.22,;19.86,-15.55,;21.4,-15.55,;22.17,-16.88,;23.7,-17.04,;24.02,-18.55,;22.68,-19.32,;21.54,-18.29,;19.09,-16.88,;17.55,-16.88,)|
Show InChI InChI=1S/C20H25N3O/c1-2-11-23(10-1)14-16-4-6-18(7-5-16)19-12-17(13-19)15-24-20-21-8-3-9-22-20/h3-9,17,19H,1-2,10-15H2/t17-,19-
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8.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401006
PNG
(CHEMBL2206289)
Show SMILES C(Oc1ncccn1)[C@H]1C[C@@H](C1)c1ccc(CN2CCCC2)cc1 |r,wU:10.13,wD:8.8,(11.52,-15.55,;10.75,-14.22,;9.21,-14.22,;8.44,-15.55,;6.9,-15.55,;6.13,-14.22,;6.9,-12.88,;8.44,-12.88,;13.06,-15.55,;14.15,-16.64,;15.24,-15.55,;14.15,-14.46,;16.78,-15.55,;17.55,-14.22,;19.09,-14.22,;19.86,-15.55,;21.4,-15.55,;22.17,-16.88,;23.7,-17.04,;24.02,-18.55,;22.68,-19.32,;21.54,-18.29,;19.09,-16.88,;17.55,-16.88,)|
Show InChI InChI=1S/C20H25N3O/c1-2-11-23(10-1)14-16-4-6-18(7-5-16)19-12-17(13-19)15-24-20-21-8-3-9-22-20/h3-9,17,19H,1-2,10-15H2/t17-,19-
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8.71n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50401003
PNG
(CHEMBL2151197)
Show SMILES CCNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:5.4,wD:7.7,(15.4,-34.66,;16.73,-35.43,;18.07,-34.66,;19.4,-35.43,;19.4,-36.97,;20.73,-34.66,;21.13,-33.17,;22.62,-33.57,;23.84,-34.51,;22.22,-35.06,;23.95,-32.81,;25.29,-33.58,;26.62,-32.81,;26.62,-31.26,;27.95,-30.48,;29.28,-31.25,;29.46,-32.78,;30.97,-33.09,;31.73,-31.76,;30.7,-30.62,;25.28,-30.5,;25.28,-28.96,;23.95,-31.27,)|
Show InChI InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18-
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8.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated 10...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50401003
PNG
(CHEMBL2151197)
Show SMILES CCNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 |r,wU:5.4,wD:7.7,(15.4,-34.66,;16.73,-35.43,;18.07,-34.66,;19.4,-35.43,;19.4,-36.97,;20.73,-34.66,;21.13,-33.17,;22.62,-33.57,;23.84,-34.51,;22.22,-35.06,;23.95,-32.81,;25.29,-33.58,;26.62,-32.81,;26.62,-31.26,;27.95,-30.48,;29.28,-31.25,;29.46,-32.78,;30.97,-33.09,;31.73,-31.76,;30.7,-30.62,;25.28,-30.5,;25.28,-28.96,;23.95,-31.27,)|
Show InChI InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18-
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8.91n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated 10...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50296715
PNG
(CHEMBL552005 | biphenyl-3-yl 1,4-diazabicyclo[3.2....)
Show SMILES O=C(Oc1cccc(c1)-c1ccccc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(6.24,-14.72,;6.52,-16.3,;8.03,-16.84,;9.26,-15.81,;8.97,-14.24,;10.19,-13.2,;11.71,-13.75,;11.99,-15.33,;10.76,-16.36,;13.43,-15.85,;13.7,-17.36,;15.14,-17.89,;16.32,-16.9,;16.05,-15.38,;14.6,-14.86,;5.3,-17.33,;5.68,-18.86,;4.64,-18.11,;3.2,-18.18,;3.12,-16.41,;3.76,-15.21,;3.84,-16.69,;2.48,-17.42,;2.17,-18.92,)|
Show InChI InChI=1S/C20H22N2O2/c23-20(22-14-13-21-11-9-18(22)10-12-21)24-19-8-4-7-17(15-19)16-5-2-1-3-6-16/h1-8,15,18H,9-14H2
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9n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nAChR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 19: 4747-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.059
BindingDB Entry DOI: 10.7270/Q21G0N69
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309890
PNG
(2-(5-Isopropyloxazolo[4,5-b]pyridin-2-yl)-2,5-diaz...)
Show SMILES CC(C)c1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:8:12:17.16:19.20,(22.84,-11.83,;22.02,-10.51,;22.76,-9.15,;20.48,-10.55,;19.5,-9.35,;17.98,-9.59,;17.42,-11.02,;15.98,-11.57,;16.04,-13.1,;17.53,-13.51,;18.39,-12.23,;19.91,-12,;14.71,-13.87,;15.08,-15.34,;14.07,-14.62,;12.7,-14.69,;12.62,-12.98,;13.24,-11.84,;13.3,-13.25,;12.01,-13.96,;11.71,-15.4,)|
Show InChI InChI=1S/C16H22N4O/c1-11(2)13-3-4-14-15(17-13)18-16(21-14)20-10-9-19-7-5-12(20)6-8-19/h3-4,11-12H,5-10H2,1-2H3
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9.05n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)


Article DOI: 10.1021/jm9015075
BindingDB Entry DOI: 10.7270/Q2QN66W3
More data for this
Ligand-Target Pair
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