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Compile Data Set for Download or QSAR

Found 63 hits from Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232609
PNG
(CHEMBL4098776)
Show SMILES C1N=C(Nc2nccc(n2)-c2ccccc2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-6-9-20-17(22-16)23-18-21-12-19(25-18)13-24-10-7-15(19)8-11-24/h1-6,9,15H,7-8,10-13H2,(H,20,21,22,23)/t19-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232599
PNG
(CHEMBL4095046)
Show SMILES CC(C)c1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1
Show InChI InChI=1S/C16H23N5O/c1-11(2)13-3-6-17-14(19-13)20-15-18-9-16(22-15)10-21-7-4-12(16)5-8-21/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,17,18,19,20)/t16-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50211215
PNG
(CHEMBL3898922)
Show SMILES C1N=C(Nc2ccccn2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C14H18N4O/c1-2-6-15-12(3-1)17-13-16-9-14(19-13)10-18-7-4-11(14)5-8-18/h1-3,6,11H,4-5,7-10H2,(H,15,16,17)/t14-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232611
PNG
(CHEMBL4071859)
Show SMILES C1N=C(Nc2ncc3ccccc3n2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C17H19N5O/c1-2-4-14-12(3-1)9-18-15(20-14)21-16-19-10-17(23-16)11-22-7-5-13(17)6-8-22/h1-4,9,13H,5-8,10-11H2,(H,18,19,20,21)/t17-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232600
PNG
(CHEMBL4074583)
Show SMILES COc1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1
Show InChI InChI=1S/C14H19N5O2/c1-20-11-2-5-15-12(17-11)18-13-16-8-14(21-13)9-19-6-3-10(14)4-7-19/h2,5,10H,3-4,6-9H2,1H3,(H,15,16,17,18)/t14-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232598
PNG
(CHEMBL4084852)
Show SMILES Cc1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1
Show InChI InChI=1S/C14H19N5O/c1-10-2-5-15-12(17-10)18-13-16-8-14(20-13)9-19-6-3-11(14)4-7-19/h2,5,11H,3-4,6-9H2,1H3,(H,15,16,17,18)/t14-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232595
PNG
(CHEMBL4100355)
Show SMILES C1N=C(Nc2ncccn2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C13H17N5O/c1-4-14-11(15-5-1)17-12-16-8-13(19-12)9-18-6-2-10(13)3-7-18/h1,4-5,10H,2-3,6-9H2,(H,14,15,16,17)/t13-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232606
PNG
(CHEMBL4083246)
Show SMILES Cc1cncc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1
Show InChI InChI=1S/C14H19N5O/c1-10-6-15-7-12(17-10)18-13-16-8-14(20-13)9-19-4-2-11(14)3-5-19/h6-7,11H,2-5,8-9H2,1H3,(H,16,17,18)/t14-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232602
PNG
(CHEMBL4097654)
Show SMILES Clc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
Show InChI InChI=1S/C13H16ClN5O/c14-10-5-11(17-8-16-10)18-12-15-6-13(20-12)7-19-3-1-9(13)2-4-19/h5,8-9H,1-4,6-7H2,(H,15,16,17,18)/t13-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232610
PNG
(CHEMBL4089244)
Show SMILES COc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1
Show InChI InChI=1S/C14H19N5O2/c1-20-11-6-15-12(16-7-11)18-13-17-8-14(21-13)9-19-4-2-10(14)3-5-19/h6-7,10H,2-5,8-9H2,1H3,(H,15,16,17,18)/t14-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232603
PNG
(CHEMBL4075880)
Show SMILES Cc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
Show InChI InChI=1S/C14H19N5O/c1-10-6-12(17-9-16-10)18-13-15-7-14(20-13)8-19-4-2-11(14)3-5-19/h6,9,11H,2-5,7-8H2,1H3,(H,15,16,17,18)/t14-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232613
PNG
(CHEMBL4061082)
Show SMILES Cc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1
Show InChI InChI=1S/C14H19N5O/c1-10-6-15-12(16-7-10)18-13-17-8-14(20-13)9-19-4-2-11(14)3-5-19/h6-7,11H,2-5,8-9H2,1H3,(H,15,16,17,18)/t14-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232593
PNG
(CHEMBL4087500)
Show SMILES C1N=C(Nc2cnccn2)OC11CN2CCC1CC2
Show InChI InChI=1S/C13H17N5O/c1-5-18-6-2-10(1)13(9-18)8-16-12(19-13)17-11-7-14-3-4-15-11/h3-4,7,10H,1-2,5-6,8-9H2,(H,15,16,17)
PDB

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n/an/a 170n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232614
PNG
(CHEMBL4102804)
Show SMILES C1N=C(Nc2cnccn2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C13H17N5O/c1-5-18-6-2-10(1)13(9-18)8-16-12(19-13)17-11-7-14-3-4-15-11/h3-4,7,10H,1-2,5-6,8-9H2,(H,15,16,17)/t13-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232612
PNG
(CHEMBL4098850)
Show SMILES C1N=C(Nc2cc3cccnc3cn2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C17H19N5O/c1-2-12-8-15(19-9-14(12)18-5-1)21-16-20-10-17(23-16)11-22-6-3-13(17)4-7-22/h1-2,5,8-9,13H,3-4,6-7,10-11H2,(H,19,20,21)/t17-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232605
PNG
(CHEMBL4077222)
Show SMILES Clc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)cn1
Show InChI InChI=1S/C13H16ClN5O/c14-10-5-16-11(6-15-10)18-12-17-7-13(20-12)8-19-3-1-9(13)2-4-19/h5-6,9H,1-4,7-8H2,(H,16,17,18)/t13-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232596
PNG
(CHEMBL4064914)
Show SMILES C1N=C(Nc2ccncn2)OC11CN2CCC1CC2
Show InChI InChI=1S/C13H17N5O/c1-4-14-9-16-11(1)17-12-15-7-13(19-12)8-18-5-2-10(13)3-6-18/h1,4,9-10H,2-3,5-8H2,(H,14,15,16,17)
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n/an/a 440n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50206243
PNG
(CHEMBL3918431)
Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C18H20N4O/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-11-18(23-17)12-22-7-5-15(18)6-8-22/h1-4,9-10,15H,5-8,11-12H2,(H,19,20,21)/t18-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232607
PNG
(CHEMBL4063152)
Show SMILES Cc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)cn1
Show InChI InChI=1S/C14H19N5O/c1-10-6-16-12(7-15-10)18-13-17-8-14(20-13)9-19-4-2-11(14)3-5-19/h6-7,11H,2-5,8-9H2,1H3,(H,16,17,18)/t14-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50206243
PNG
(CHEMBL3918431)
Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C18H20N4O/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-11-18(23-17)12-22-7-5-15(18)6-8-22/h1-4,9-10,15H,5-8,11-12H2,(H,19,20,21)/t18-/m0/s1
PDB
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n/an/a 3.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp electrophysiology assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232616
PNG
(CHEMBL4101249)
Show SMILES COc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)cn1
Show InChI InChI=1S/C14H19N5O2/c1-20-12-7-15-11(6-16-12)18-13-17-8-14(21-13)9-19-4-2-10(14)3-5-19/h6-7,10H,2-5,8-9H2,1H3,(H,15,17,18)/t14-/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232594
PNG
(CHEMBL4102566)
Show SMILES C1N=C(Nc2cc(ncn2)-c2ccccc2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-10-17(22-13-21-16)23-18-20-11-19(25-18)12-24-8-6-15(19)7-9-24/h1-5,10,13,15H,6-9,11-12H2,(H,20,21,22,23)/t19-/m0/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232617
PNG
(CHEMBL4066807)
Show SMILES CC(C)c1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
Show InChI InChI=1S/C16H23N5O/c1-11(2)13-7-14(19-10-18-13)20-15-17-8-16(22-15)9-21-5-3-12(16)4-6-21/h7,10-12H,3-6,8-9H2,1-2H3,(H,17,18,19,20)/t16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232597
PNG
(CHEMBL4092614)
Show SMILES C1N=C(Nc2cncnc2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C13H17N5O/c1-3-18-4-2-10(1)13(8-18)7-16-12(19-13)17-11-5-14-9-15-6-11/h5-6,9-10H,1-4,7-8H2,(H,16,17)/t13-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232601
PNG
(CHEMBL4079623)
Show SMILES COc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
Show InChI InChI=1S/C14H19N5O2/c1-20-12-6-11(16-9-17-12)18-13-15-7-14(21-13)8-19-4-2-10(14)3-5-19/h6,9-10H,2-5,7-8H2,1H3,(H,15,16,17,18)/t14-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232615
PNG
(CHEMBL4091037)
Show SMILES Cc1nccnc1NC1=NC[C@@]2(CN3CCC2CC3)O1
Show InChI InChI=1S/C14H19N5O/c1-10-12(16-5-4-15-10)18-13-17-8-14(20-13)9-19-6-2-11(14)3-7-19/h4-5,11H,2-3,6-9H2,1H3,(H,16,17,18)/t14-/m0/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232608
PNG
(CHEMBL4071766)
Show SMILES Cc1cccc(c1)-c1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1
Show InChI InChI=1S/C20H23N5O/c1-14-3-2-4-15(9-14)16-10-21-18(22-11-16)24-19-23-12-20(26-19)13-25-7-5-17(20)6-8-25/h2-4,9-11,17H,5-8,12-13H2,1H3,(H,21,22,23,24)/t20-/m0/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232604
PNG
(CHEMBL4093500)
Show SMILES C1N=C(Nc2cnc(cn2)-c2ccccc2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-10-21-17(11-20-16)23-18-22-12-19(25-18)13-24-8-6-15(19)7-9-24/h1-5,10-11,15H,6-9,12-13H2,(H,21,22,23)/t19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN)
BDBM50232599
PNG
(CHEMBL4095046)
Show SMILES CC(C)c1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1
Show InChI InChI=1S/C16H23N5O/c1-11(2)13-3-6-17-14(19-13)20-15-18-9-16(22-15)10-21-7-4-12(16)5-8-21/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,17,18,19,20)/t16-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at alpha3beta4 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232600
PNG
(CHEMBL4074583)
Show SMILES COc1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1
Show InChI InChI=1S/C14H19N5O2/c1-20-11-2-5-15-12(17-11)18-13-16-8-14(21-13)9-19-6-3-10(14)4-7-19/h2,5,10H,3-4,6-9H2,1H3,(H,15,16,17,18)/t14-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN)
BDBM50232608
PNG
(CHEMBL4071766)
Show SMILES Cc1cccc(c1)-c1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1
Show InChI InChI=1S/C20H23N5O/c1-14-3-2-4-15(9-14)16-10-21-18(22-11-16)24-19-23-12-20(26-19)13-25-7-5-17(20)6-8-25/h2-4,9-11,17H,5-8,12-13H2,1H3,(H,21,22,23,24)/t20-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at alpha3beta4 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN)
BDBM50232600
PNG
(CHEMBL4074583)
Show SMILES COc1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1
Show InChI InChI=1S/C14H19N5O2/c1-20-11-2-5-15-12(17-11)18-13-16-8-14(21-13)9-19-6-3-10(14)4-7-19/h2,5,10H,3-4,6-9H2,1H3,(H,15,16,17,18)/t14-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at alpha3beta4 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM50232602
PNG
(CHEMBL4097654)
Show SMILES Clc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
Show InChI InChI=1S/C13H16ClN5O/c14-10-5-11(17-8-16-10)18-12-15-6-13(20-12)7-19-3-1-9(13)2-4-19/h5,8-9H,1-4,6-7H2,(H,15,16,17,18)/t13-/m0/s1
MMDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at alpha1beta1deltaepsilon nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based ...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM50232600
PNG
(CHEMBL4074583)
Show SMILES COc1ccnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1
Show InChI InChI=1S/C14H19N5O2/c1-20-11-2-5-15-12(17-11)18-13-16-8-14(21-13)9-19-6-3-10(14)4-7-19/h2,5,10H,3-4,6-9H2,1H3,(H,15,16,17,18)/t14-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at alpha1beta1deltaepsilon nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based ...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN)
BDBM50232605
PNG
(CHEMBL4077222)
Show SMILES Clc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)cn1
Show InChI InChI=1S/C13H16ClN5O/c14-10-5-16-11(6-15-10)18-12-17-7-13(20-12)8-19-3-1-9(13)2-4-19/h5-6,9H,1-4,7-8H2,(H,16,17,18)/t13-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at alpha3beta4 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232610
PNG
(CHEMBL4089244)
Show SMILES COc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1
Show InChI InChI=1S/C14H19N5O2/c1-20-11-6-15-12(16-7-11)18-13-17-8-14(21-13)9-19-4-2-10(14)3-5-19/h6-7,10H,2-5,8-9H2,1H3,(H,15,16,17,18)/t14-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232609
PNG
(CHEMBL4098776)
Show SMILES C1N=C(Nc2nccc(n2)-c2ccccc2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-6-9-20-17(22-16)23-18-21-12-19(25-18)13-24-10-7-15(19)8-11-24/h1-6,9,15H,7-8,10-13H2,(H,20,21,22,23)/t19-/m0/s1
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n/an/an/an/a 7.90n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232608
PNG
(CHEMBL4071766)
Show SMILES Cc1cccc(c1)-c1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1
Show InChI InChI=1S/C20H23N5O/c1-14-3-2-4-15(9-14)16-10-21-18(22-11-16)24-19-23-12-20(26-19)13-25-7-5-17(20)6-8-25/h2-4,9-11,17H,5-8,12-13H2,1H3,(H,21,22,23,24)/t20-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50232614
PNG
(CHEMBL4102804)
Show SMILES C1N=C(Nc2cnccn2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C13H17N5O/c1-5-18-6-2-10(1)13(9-18)8-16-12(19-13)17-11-7-14-3-4-15-11/h3-4,7,10H,1-2,5-6,8-9H2,(H,15,16,17)/t13-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at alpha4beta2 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232597
PNG
(CHEMBL4092614)
Show SMILES C1N=C(Nc2cncnc2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C13H17N5O/c1-3-18-4-2-10(1)13(8-18)7-16-12(19-13)17-11-5-14-9-15-6-11/h5-6,9-10H,1-4,7-8H2,(H,16,17)/t13-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232607
PNG
(CHEMBL4063152)
Show SMILES Cc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)cn1
Show InChI InChI=1S/C14H19N5O/c1-10-6-16-12(7-15-10)18-13-17-8-14(20-13)9-19-4-2-11(14)3-5-19/h6-7,11H,2-5,8-9H2,1H3,(H,16,17,18)/t14-/m0/s1
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n/an/an/an/a 84n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232593
PNG
(CHEMBL4087500)
Show SMILES C1N=C(Nc2cnccn2)OC11CN2CCC1CC2
Show InChI InChI=1S/C13H17N5O/c1-5-18-6-2-10(1)13(9-18)8-16-12(19-13)17-11-7-14-3-4-15-11/h3-4,7,10H,1-2,5-6,8-9H2,(H,15,16,17)
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n/an/an/an/a 630n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232606
PNG
(CHEMBL4083246)
Show SMILES Cc1cncc(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1
Show InChI InChI=1S/C14H19N5O/c1-10-6-15-7-12(17-10)18-13-16-8-14(20-13)9-19-4-2-11(14)3-5-19/h6-7,11H,2-5,8-9H2,1H3,(H,16,17,18)/t14-/m0/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232605
PNG
(CHEMBL4077222)
Show SMILES Clc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)cn1
Show InChI InChI=1S/C13H16ClN5O/c14-10-5-16-11(6-15-10)18-12-17-7-13(20-12)8-19-3-1-9(13)2-4-19/h5-6,9H,1-4,7-8H2,(H,16,17,18)/t13-/m0/s1
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n/an/an/an/a 33n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM50232594
PNG
(CHEMBL4102566)
Show SMILES C1N=C(Nc2cc(ncn2)-c2ccccc2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-10-17(22-13-21-16)23-18-20-11-19(25-18)12-24-8-6-15(19)7-9-24/h1-5,10,13,15H,6-9,11-12H2,(H,20,21,22,23)/t19-/m0/s1
MMDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at alpha1beta1deltaepsilon nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based ...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232604
PNG
(CHEMBL4093500)
Show SMILES C1N=C(Nc2cnc(cn2)-c2ccccc2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-10-21-17(11-20-16)23-18-22-12-19(25-18)13-24-8-6-15(19)7-9-24/h1-5,10-11,15H,6-9,12-13H2,(H,21,22,23)/t19-/m0/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232603
PNG
(CHEMBL4075880)
Show SMILES Cc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
Show InChI InChI=1S/C14H19N5O/c1-10-6-12(17-9-16-10)18-13-15-7-14(20-13)8-19-4-2-11(14)3-5-19/h6,9,11H,2-5,7-8H2,1H3,(H,15,16,17,18)/t14-/m0/s1
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n/an/an/an/a 480n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232602
PNG
(CHEMBL4097654)
Show SMILES Clc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
Show InChI InChI=1S/C13H16ClN5O/c14-10-5-11(17-8-16-10)18-12-15-6-13(20-12)7-19-3-1-9(13)2-4-19/h5,8-9H,1-4,6-7H2,(H,15,16,17,18)/t13-/m0/s1
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n/an/an/an/a 470n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232601
PNG
(CHEMBL4079623)
Show SMILES COc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
Show InChI InChI=1S/C14H19N5O2/c1-20-12-6-11(16-9-17-12)18-13-15-7-14(21-13)8-19-4-2-10(14)3-5-19/h6,9-10H,2-5,7-8H2,1H3,(H,15,16,17,18)/t14-/m0/s1
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n/an/an/an/a 43n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232594
PNG
(CHEMBL4102566)
Show SMILES C1N=C(Nc2cc(ncn2)-c2ccccc2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-10-17(22-13-21-16)23-18-20-11-19(25-18)12-24-8-6-15(19)7-9-24/h1-5,10,13,15H,6-9,11-12H2,(H,20,21,22,23)/t19-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: christiana.iwuagwu@bms.com.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...


Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
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