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Compile Data Set for Download or QSAR

Found 255 hits with Last Name = 'matchett' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169541
PNG
(CHEMBL3805542)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C24H27N7O3/c1-2-3-13-34-24(32)30-11-9-29(10-12-30)18-7-4-6-17(15-18)19-16-21-27-22(20-8-5-14-33-20)28-31(21)23(25)26-19/h4-8,14-16H,2-3,9-13H2,1H3,(H2,25,26)
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1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 289-93 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 289-93 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50206243
PNG
(CHEMBL3918431)
Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)|
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4.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr54-alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes co-expressing human RIC3 measured after 2 hrs...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169480
PNG
(CHEMBL3805340)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cccc(c1)C#Cc1ccccc1 |r|
Show InChI InChI=1/C23H16FNO2/c24-20-11-5-10-19(15-20)22-21(25-23(26)27-22)18-9-4-8-17(14-18)13-12-16-6-2-1-3-7-16/h1-11,14-15,21-22H,(H,25,26)/t21-,22-/s2
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6.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 289-93 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169544
PNG
(CHEMBL3805655)
Show SMILES O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cc(ccn1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C26H30N8O3/c1-18-16-31(11-13-36-18)17-24(35)33-9-7-32(8-10-33)20-5-2-4-19(14-20)21-15-23-29-25(22-6-3-12-37-22)30-34(23)26(27)28-21/h2-6,12,14-15,18H,7-11,13,16-17H2,1H3,(H2,27,28)
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 289-93 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169457
PNG
(CHEMBL3805652)
Show SMILES COc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cccc(c1)C#Cc1ccccc1 |r|
Show InChI InChI=1/C24H19NO3/c1-27-21-12-6-11-20(16-21)23-22(25-24(26)28-23)19-10-5-9-18(15-19)14-13-17-7-3-2-4-8-17/h2-12,15-16,22-23H,1H3,(H,25,26)/t22-,23-/s2
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 289-93 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169543
PNG
(CHEMBL3806078)
Show SMILES Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1cncc(F)c1 |r|
Show InChI InChI=1S/C25H30N8O2/c26-25-27-21(18-23-28-24(29-33(23)25)22-5-2-14-35-22)19-3-1-4-20(17-19)32-10-8-30(9-11-32)6-7-31-12-15-34-16-13-31/h1-5,14,17-18H,6-13,15-16H2,(H2,26,27)
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25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 289-93 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NMW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50211195
PNG
(CHEMBL3944506)
Show SMILES COc1ccc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2c1 |r,wU:12.21,t:9,THB:20:12:15.16:19.18,(37.09,-40.85,;35.6,-40.46,;34.52,-41.55,;34.92,-43.04,;33.83,-44.12,;32.35,-43.73,;31.07,-44.57,;29.87,-43.61,;28.38,-44.01,;27.98,-45.5,;28.96,-46.69,;28.12,-47.99,;26.63,-47.59,;26.93,-49.11,;25.44,-48.42,;23.78,-49.14,;23.56,-47.64,;25.16,-46.94,;25.24,-45.16,;25.72,-46.36,;26.55,-46.05,;30.42,-42.17,;31.96,-42.24,;33.04,-41.16,)|
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38n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr54-alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes co-expressing human RIC3 measured after 2 hrs...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50164613
PNG
((-)-Spiro[1-azabicyclo(2.2.2)octane-3,5'-oxazolidi...)
Show SMILES O=C1NC[C@@]2(CN3CCC2CC3)O1 |wU:4.13,(17.66,3,;16.71,1.79,;17.15,.32,;15.87,-.57,;14.65,.37,;14.65,-1.17,;13.32,-1.92,;13.8,-.68,;12.7,-.03,;13.32,1.16,;12,.37,;12,-1.17,;15.17,1.82,)|
Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)/t9-/m0/s1
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92n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from rat hippocampal alpha7 nAChR measured after 2 hrs by TopCount scintillation counting method


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
More data for this
Ligand-Target Pair
Sodium channel protein type IX alpha subunit


(Rattus norvegicus)
BDBM50237517
PNG
(CHEMBL4078268)
Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(32.42,-58.42,;33.76,-57.64,;33.76,-56.1,;35.1,-55.33,;36.43,-56.1,;37.75,-55.33,;37.73,-53.78,;39.08,-52.99,;39.08,-51.45,;40.4,-50.67,;40.4,-49.14,;41.74,-51.44,;41.74,-52.99,;40.41,-53.75,;40.4,-55.29,;43.08,-50.66,;42.3,-49.32,;43.85,-49.32,;44.43,-51.43,;45.75,-50.65,;45.74,-49.12,;47.2,-48.65,;48.11,-49.87,;47.21,-51.13,;36.43,-57.64,;35.1,-58.41,)|
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50024245
PNG
(CHEMBL3325524)
Show SMILES Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1/C20H19ClF2N4O3S2/c21-14-3-1-12(2-4-14)15-5-6-24-9-13(15)10-30-18-7-17(23)19(8-16(18)22)32(28,29)27-20-25-11-26-31-20/h1-4,7-8,11,13,15,24H,5-6,9-10H2,(H,25,26,27)/t13-,15-/s2
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50169542
PNG
(CHEMBL3804846)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237517
PNG
(CHEMBL4078268)
Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(32.42,-58.42,;33.76,-57.64,;33.76,-56.1,;35.1,-55.33,;36.43,-56.1,;37.75,-55.33,;37.73,-53.78,;39.08,-52.99,;39.08,-51.45,;40.4,-50.67,;40.4,-49.14,;41.74,-51.44,;41.74,-52.99,;40.41,-53.75,;40.4,-55.29,;43.08,-50.66,;42.3,-49.32,;43.85,-49.32,;44.43,-51.43,;45.75,-50.65,;45.74,-49.12,;47.2,-48.65,;48.11,-49.87,;47.21,-51.13,;36.43,-57.64,;35.1,-58.41,)|
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237517
PNG
(CHEMBL4078268)
Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(32.42,-58.42,;33.76,-57.64,;33.76,-56.1,;35.1,-55.33,;36.43,-56.1,;37.75,-55.33,;37.73,-53.78,;39.08,-52.99,;39.08,-51.45,;40.4,-50.67,;40.4,-49.14,;41.74,-51.44,;41.74,-52.99,;40.41,-53.75,;40.4,-55.29,;43.08,-50.66,;42.3,-49.32,;43.85,-49.32,;44.43,-51.43,;45.75,-50.65,;45.74,-49.12,;47.2,-48.65,;48.11,-49.87,;47.21,-51.13,;36.43,-57.64,;35.1,-58.41,)|
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50237517
PNG
(CHEMBL4078268)
Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(32.42,-58.42,;33.76,-57.64,;33.76,-56.1,;35.1,-55.33,;36.43,-56.1,;37.75,-55.33,;37.73,-53.78,;39.08,-52.99,;39.08,-51.45,;40.4,-50.67,;40.4,-49.14,;41.74,-51.44,;41.74,-52.99,;40.41,-53.75,;40.4,-55.29,;43.08,-50.66,;42.3,-49.32,;43.85,-49.32,;44.43,-51.43,;45.75,-50.65,;45.74,-49.12,;47.2,-48.65,;48.11,-49.87,;47.21,-51.13,;36.43,-57.64,;35.1,-58.41,)|
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50211207
PNG
(CHEMBL3950038)
Show SMILES C1C2CCCN1CC21CN=C(Nc2nc3ccccc3s2)O1 |t:11,TLB:21:7:0:4.2.3|
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50237517
PNG
(CHEMBL4078268)
Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(32.42,-58.42,;33.76,-57.64,;33.76,-56.1,;35.1,-55.33,;36.43,-56.1,;37.75,-55.33,;37.73,-53.78,;39.08,-52.99,;39.08,-51.45,;40.4,-50.67,;40.4,-49.14,;41.74,-51.44,;41.74,-52.99,;40.41,-53.75,;40.4,-55.29,;43.08,-50.66,;42.3,-49.32,;43.85,-49.32,;44.43,-51.43,;45.75,-50.65,;45.74,-49.12,;47.2,-48.65,;48.11,-49.87,;47.21,-51.13,;36.43,-57.64,;35.1,-58.41,)|
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n/an/a 7.5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237522
PNG
(CHEMBL4060154)
Show SMILES N[C@H]1CC[C@@H](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(2.3,-59.56,;2.29,-58.02,;.96,-57.25,;.96,-55.71,;2.3,-54.94,;2.3,-53.39,;3.62,-52.63,;3.61,-51.07,;4.95,-50.28,;4.95,-48.74,;6.28,-47.97,;6.28,-46.43,;7.61,-48.73,;7.61,-50.28,;6.27,-51.05,;6.28,-52.59,;8.95,-47.95,;8.18,-46.61,;9.72,-46.61,;10.3,-48.72,;11.63,-47.94,;11.62,-46.41,;13.08,-45.93,;13.99,-47.17,;13.09,-48.42,;3.62,-55.7,;3.62,-57.25,)|
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50211210
PNG
(CHEMBL3984925)
Show SMILES C1N=C(Nc2ccc3ccccc3n2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,THB:14:15:18.19:22.21,(48.06,-43.88,;48.9,-42.58,;47.93,-41.39,;48.32,-39.9,;49.81,-39.5,;50.19,-38.02,;51.67,-37.61,;52.77,-38.7,;54.25,-38.3,;55.34,-39.38,;54.95,-40.88,;53.46,-41.27,;52.37,-40.19,;50.89,-40.59,;46.49,-41.94,;46.57,-43.48,;46.88,-45,;45.38,-44.31,;43.72,-45.03,;43.51,-43.53,;45.11,-42.83,;45.18,-41.05,;45.66,-42.26,)|
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50237491
PNG
(CHEMBL4094887)
Show SMILES N[C@H]1CC[C@@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccc(Cl)cc1 |r,wU:4.4,1.0,(66.64,-7.74,;66.69,-6.2,;65.39,-5.39,;65.44,-3.85,;66.79,-3.14,;67.56,-1.81,;69.1,-1.82,;69.86,-3.15,;71.4,-3.16,;72.17,-1.84,;73.7,-1.84,;74.47,-.51,;74.47,-3.18,;73.69,-4.51,;72.16,-4.5,;71.38,-5.83,;76.01,-3.18,;76.42,-1.69,;77.5,-2.8,;76.77,-4.52,;78.31,-4.53,;79.22,-3.29,;80.68,-3.77,;80.67,-5.31,;79.21,-5.78,;68.1,-3.93,;68.05,-5.47,;65.69,-2.04,;66.1,-.53,;65,.58,;63.49,.17,;62.41,1.26,;63.09,-1.34,;64.19,-2.44,)|
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237518
PNG
(CHEMBL4076444)
Show SMILES Fc1cc(NCCC2CCCCN2)c(Cl)cc1S(=O)(=O)Nc1nccs1
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n/an/a 8.40n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237521
PNG
(CHEMBL4101437)
Show SMILES N[C@H]1CC[C@@](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)(CC1)c1ccccc1 |r,wU:4.4,1.0,(22.89,-44.29,;22.94,-42.75,;21.64,-41.94,;21.69,-40.41,;23.04,-39.69,;23.82,-38.36,;25.35,-38.37,;26.12,-39.7,;27.66,-39.71,;28.42,-38.39,;29.95,-38.39,;30.73,-37.06,;30.73,-39.73,;29.95,-41.06,;28.41,-41.06,;27.63,-42.38,;32.26,-39.74,;32.68,-38.25,;33.76,-39.35,;33.03,-41.08,;34.57,-41.08,;35.48,-39.84,;36.94,-40.32,;36.93,-41.86,;35.47,-42.33,;24.36,-40.48,;24.3,-42.03,;21.94,-38.59,;22.35,-37.08,;21.25,-35.98,;19.75,-36.38,;19.34,-37.89,;20.44,-38.99,)|
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237506
PNG
(CHEMBL4098912)
Show SMILES N[C@H]1CC[C@@](CCOc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:4.4,1.0,(70.59,-20.09,;70.64,-18.56,;69.33,-17.74,;69.38,-16.21,;70.73,-15.49,;71.51,-14.16,;73.05,-14.17,;73.81,-15.51,;75.35,-15.52,;76.11,-14.19,;77.65,-14.2,;78.42,-12.87,;78.42,-15.54,;77.64,-16.87,;76.1,-16.86,;75.32,-18.18,;79.96,-15.54,;80.37,-14.05,;81.45,-15.15,;80.72,-16.88,;82.26,-16.88,;83.17,-15.64,;84.63,-16.12,;84.62,-17.66,;83.16,-18.13,;72.05,-16.29,;72,-17.83,;69.63,-14.39,;70.04,-12.89,;68.95,-11.79,;67.44,-12.19,;67.04,-13.7,;68.14,-14.79,)|
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237526
PNG
(CHEMBL4092078)
Show SMILES Fc1cc(NCC2(CN3CCCC3)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50211200
PNG
(CHEMBL3974854)
Show SMILES C1N=C(Nc2nc(cs2)-c2ccccc2)OC11CN2CCC1CC2 |t:1,THB:15:16:19.20:23.22,(8.78,-39.79,;9.61,-38.49,;8.64,-37.3,;9.04,-35.81,;10.52,-35.41,;11.73,-36.37,;13.02,-35.53,;12.61,-34.04,;11.08,-33.97,;14.45,-36.08,;14.69,-37.6,;16.13,-38.15,;17.33,-37.18,;17.07,-35.65,;15.64,-35.11,;7.2,-37.85,;7.29,-39.39,;7.59,-40.91,;6.1,-40.22,;4.44,-40.94,;4.22,-39.44,;5.82,-38.74,;5.9,-36.96,;6.37,-38.17,)|
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
More data for this
Ligand-Target Pair
Sodium channel protein type IX alpha subunit


(Rattus norvegicus)
BDBM50237517
PNG
(CHEMBL4078268)
Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(32.42,-58.42,;33.76,-57.64,;33.76,-56.1,;35.1,-55.33,;36.43,-56.1,;37.75,-55.33,;37.73,-53.78,;39.08,-52.99,;39.08,-51.45,;40.4,-50.67,;40.4,-49.14,;41.74,-51.44,;41.74,-52.99,;40.41,-53.75,;40.4,-55.29,;43.08,-50.66,;42.3,-49.32,;43.85,-49.32,;44.43,-51.43,;45.75,-50.65,;45.74,-49.12,;47.2,-48.65,;48.11,-49.87,;47.21,-51.13,;36.43,-57.64,;35.1,-58.41,)|
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237526
PNG
(CHEMBL4092078)
Show SMILES Fc1cc(NCC2(CN3CCCC3)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237525
PNG
(CHEMBL4078252)
Show SMILES Fc1cc(NCCC2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
PDB

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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50211198
PNG
(CHEMBL3961219)
Show SMILES COc1cccc2sc(NC3=NCC4(CN5CCC4CC5)O3)nc12 |t:10,THB:21:13:16.17:20.19,(49.13,-16.73,;50.22,-15.65,;49.82,-14.17,;50.91,-13.09,;50.51,-11.6,;49.03,-11.21,;47.95,-12.29,;46.41,-12.21,;45.86,-13.65,;44.37,-14.06,;43.97,-15.54,;44.95,-16.74,;44.11,-18.03,;42.62,-17.64,;42.92,-19.16,;41.43,-18.47,;39.77,-19.19,;39.55,-17.68,;41.15,-16.99,;41.23,-15.21,;41.71,-16.41,;42.54,-16.1,;47.06,-14.62,;48.34,-13.77,)|
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237516
PNG
(CHEMBL4080712)
Show SMILES N[C@H]1CC[C@H](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:1.0,wD:4.4,(12.18,-61.35,;12.18,-59.81,;10.84,-59.04,;10.84,-57.5,;12.18,-56.73,;12.18,-55.19,;13.5,-54.42,;13.49,-52.86,;14.83,-52.07,;14.83,-50.53,;16.16,-49.76,;16.16,-48.22,;17.49,-50.53,;17.49,-52.07,;16.16,-52.84,;16.16,-54.38,;18.83,-49.74,;18.06,-48.41,;19.6,-48.4,;20.18,-50.51,;21.51,-49.73,;21.5,-48.2,;22.96,-47.73,;23.87,-48.96,;22.97,-50.21,;13.51,-57.5,;13.5,-59.05,)|
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237508
PNG
(CHEMBL4071098)
Show SMILES Fc1cc(NCCC2CCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237520
PNG
(CHEMBL4088581)
Show SMILES Fc1cc(NCCC2CCCCN2)c(Cl)cc1S(=O)(=O)Nc1ncns1
PDB

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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
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 |r,wU:11.11,t:1,THB:10:11:14.15:18.17,(46.07,-8.61,;46.9,-7.32,;45.93,-6.12,;46.33,-4.64,;47.81,-4.23,;48.2,-2.75,;49.68,-2.35,;50.78,-3.44,;50.38,-4.92,;48.9,-5.33,;44.5,-6.68,;44.58,-8.22,;44.88,-9.74,;43.39,-9.05,;41.73,-9.76,;41.51,-8.26,;43.11,-7.57,;43.19,-5.78,;43.67,-6.99,)|
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50237493
PNG
(CHEMBL4102633)
Show SMILES N[C@H]1CC[C@@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:4.4,1.0,(27.38,-21.24,;27.43,-19.7,;26.12,-18.89,;26.17,-17.36,;27.52,-16.64,;28.3,-15.31,;29.84,-15.32,;30.6,-16.66,;32.14,-16.66,;32.9,-15.34,;34.44,-15.34,;35.21,-14.01,;35.21,-16.69,;34.43,-18.01,;32.89,-18.01,;32.11,-19.33,;36.74,-16.69,;37.16,-15.2,;38.24,-16.3,;37.51,-18.03,;39.05,-18.03,;39.95,-16.79,;41.42,-17.27,;41.41,-18.81,;39.94,-19.28,;28.84,-17.43,;28.79,-18.98,;26.42,-15.54,;26.83,-14.03,;25.74,-12.93,;24.23,-13.33,;23.83,-14.85,;24.93,-15.94,)|
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237499
PNG
(CHEMBL4076627)
Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)CC1 |r,wU:4.4,1.0,(19.01,-58.71,;20.34,-57.93,;20.34,-56.39,;21.68,-55.62,;23.01,-56.39,;24.33,-55.62,;24.31,-54.07,;25.66,-53.28,;25.66,-51.74,;26.98,-50.96,;26.98,-49.43,;28.32,-51.73,;28.32,-53.28,;26.99,-54.05,;26.98,-55.58,;29.66,-50.95,;28.88,-49.61,;30.43,-49.61,;31.01,-51.72,;32.33,-50.94,;32.32,-49.41,;33.78,-48.94,;34.69,-50.16,;33.79,-51.42,;23.01,-57.93,;21.68,-58.7,)|
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50211212
PNG
(CHEMBL3927589)
Show SMILES C1N=C(Nc2ccccn2)OC11CN2CCC1CC2 |t:1,THB:10:11:14.15:18.17,(29.01,-30.28,;29.84,-28.99,;28.87,-27.79,;29.27,-26.3,;30.75,-25.9,;31.14,-24.42,;32.62,-24.01,;33.72,-25.1,;33.32,-26.59,;31.84,-26.99,;27.44,-28.35,;27.52,-29.88,;27.82,-31.4,;26.33,-30.72,;24.67,-31.43,;24.45,-29.93,;26.05,-29.23,;26.13,-27.45,;26.61,-28.66,)|
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237528
PNG
(CHEMBL4064193)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
PDB

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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50201541
PNG
(CHEMBL3966581)
Show SMILES Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N
PDB
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50211202
PNG
(CHEMBL3981300)
Show SMILES COc1ccc2sc(NC3=NCC4(CN5CCC4CC5)O3)nc2c1 |t:9,THB:20:12:15.16:19.18,(53.42,-23.9,;53.02,-22.42,;51.54,-22.03,;51.13,-20.54,;49.65,-20.15,;48.58,-21.23,;47.04,-21.15,;46.48,-22.59,;45,-22.99,;44.6,-24.48,;45.57,-25.68,;44.74,-26.97,;43.25,-26.58,;43.55,-28.09,;42.06,-27.41,;40.4,-28.12,;40.18,-26.62,;41.78,-25.92,;41.86,-24.14,;42.33,-25.35,;43.16,-25.04,;47.69,-23.56,;48.97,-22.71,;50.45,-23.11,)|
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50211220
PNG
(CHEMBL3970846)
Show SMILES C1N=C(Nc2nc3ccccc3s2)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,THB:13:14:17.18:21.20,(28.88,-37.4,;29.71,-36.11,;28.74,-34.91,;29.14,-33.42,;30.62,-33.02,;31.83,-33.98,;33.11,-33.14,;34.59,-33.54,;35.68,-32.45,;35.27,-30.97,;33.79,-30.57,;32.72,-31.66,;31.18,-31.58,;27.31,-35.47,;27.39,-37,;27.69,-38.52,;26.2,-37.84,;24.54,-38.55,;24.32,-37.05,;25.92,-36.35,;26,-34.57,;26.47,-35.78,)|
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50211196
PNG
(CHEMBL3954179)
Show SMILES C1N=C(Nc2nc3ccccc3s2)OC11CN2CCC1CC2 |t:1,THB:13:14:17.18:21.20,(24.52,-9.98,;25.36,-8.69,;24.39,-7.5,;24.78,-6.01,;26.27,-5.61,;27.47,-6.57,;28.75,-5.73,;30.23,-6.12,;31.32,-5.04,;30.92,-3.55,;29.44,-3.16,;28.36,-4.24,;26.82,-4.16,;22.95,-8.05,;23.03,-9.59,;23.33,-11.11,;21.84,-10.42,;20.18,-11.14,;19.97,-9.63,;21.57,-8.94,;21.64,-7.16,;22.12,-8.36,)|
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50211211
PNG
(CHEMBL3902912)
Show SMILES C1N=C(Nc2nccs2)OC11CN2CCC1CC2 |t:1,THB:9:10:13.14:17.16,(7.52,-18.74,;8.35,-17.45,;7.38,-16.26,;7.78,-14.77,;9.26,-14.37,;10.47,-15.33,;11.76,-14.49,;11.35,-13,;9.82,-12.93,;5.94,-16.81,;6.03,-18.35,;6.33,-19.87,;4.84,-19.18,;3.18,-19.9,;2.96,-18.39,;4.56,-17.7,;4.64,-15.92,;5.11,-17.12,)|
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237528
PNG
(CHEMBL4064193)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
PDB

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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50201558
PNG
(CHEMBL3895289)
Show SMILES Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
PDB
MMDB

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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237509
PNG
(CHEMBL4103940)
Show SMILES Fc1cc(NCCC2CNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
PDB

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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50237528
PNG
(CHEMBL4064193)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
PDB

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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50211206
PNG
(CHEMBL3923346)
Show SMILES C1CN2CC1C1(CN=C(Nc3nc4ccccc4s3)O1)C2 |t:8,TLB:6:5:1.0:3,THB:19:5:1.0:3|
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237532
PNG
(CHEMBL4096299)
Show SMILES Fc1cc(NCCC2CCNCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
PDB

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n/an/a 42n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50237523
PNG
(CHEMBL4085278)
Show SMILES Fc1cc(NC[C@H]2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
PDB

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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
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