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Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'hollingsworth' and Initial = 'eb'   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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n/an/a 0.920n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of [3H]spiperone binding to dopamine receptor D2


J Med Chem 36: 3417-23 (1993)


Article DOI: 10.1021/jm00074a023
BindingDB Entry DOI: 10.7270/Q2S75GZD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of [3H]spiperone binding to dopamine receptor D2


J Med Chem 36: 3417-23 (1993)


Article DOI: 10.1021/jm00074a023
BindingDB Entry DOI: 10.7270/Q2S75GZD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM11638
PNG
(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
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n/an/a 210n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of [3H]spiperone binding to dopamine receptor D2


J Med Chem 36: 3417-23 (1993)


Article DOI: 10.1021/jm00074a023
BindingDB Entry DOI: 10.7270/Q2S75GZD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50456198
PNG
(CHEMBL2111762)
Show SMILES CCN1CCC[C@H]1CN1Cc2ccc(Cl)cc2C1=O
Show InChI InChI=1S/C15H19ClN2O/c1-2-17-7-3-4-13(17)10-18-9-11-5-6-12(16)8-14(11)15(18)19/h5-6,8,13H,2-4,7,9-10H2,1H3/t13-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of [3H]spiperone binding to dopamine receptor D2


J Med Chem 36: 3417-23 (1993)


Article DOI: 10.1021/jm00074a023
BindingDB Entry DOI: 10.7270/Q2S75GZD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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n/an/a 1.57E+3n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of [3H]spiperone binding to dopamine receptor D2


J Med Chem 36: 3417-23 (1993)


Article DOI: 10.1021/jm00074a023
BindingDB Entry DOI: 10.7270/Q2S75GZD
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021422
PNG
(2,6,6-Trimethyl-bicyclo[3.1.1]heptane-3-carboxylic...)
Show SMILES CC1C2CC(CC1C(=O)OC1(C)CCN(C)CC1)C2(C)C
Show InChI InChI=1S/C18H31NO2/c1-12-14(10-13-11-15(12)17(13,2)3)16(20)21-18(4)6-8-19(5)9-7-18/h12-15H,6-11H2,1-5H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021441
PNG
(2-Phenethyl-benzoic acid 1,4-dimethyl-piperidin-4-...)
Show SMILES CN1CCC(C)(CC1)OC(=O)c1ccccc1CCc1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-22(14-16-23(2)17-15-22)25-21(24)20-11-7-6-10-19(20)13-12-18-8-4-3-5-9-18/h3-11H,12-17H2,1-2H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021446
PNG
(2-Benzyl-benzoic acid 1-methyl-piperidin-4-yl este...)
Show SMILES CN1CCC(CC1)OC(=O)c1ccccc1Cc1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-21-13-11-18(12-14-21)23-20(22)19-10-6-5-9-17(19)15-16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021444
PNG
(2-Phenoxy-benzoic acid 1-methyl-piperidin-4-yl est...)
Show SMILES CN1CCC(CC1)OC(=O)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C19H21NO3/c1-20-13-11-16(12-14-20)23-19(21)17-9-5-6-10-18(17)22-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021438
PNG
(Biphenyl-2-carboxylic acid 1,4-dimethyl-piperidin-...)
Show SMILES CN1CCC(C)(CC1)OC(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-20(12-14-21(2)15-13-20)23-19(22)18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021432
PNG
(2-Phenethyl-benzoic acid 2-diethylamino-ethyl este...)
Show SMILES CCN(CC)CCOC(=O)c1ccccc1CCc1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21(23)20-13-9-8-12-19(20)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021421
PNG
(Biphenyl-2-carboxylic acid 3-diethylamino-propyl e...)
Show SMILES CCN(CC)CCCOC(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C20H25NO2/c1-3-21(4-2)15-10-16-23-20(22)19-14-9-8-13-18(19)17-11-6-5-7-12-17/h5-9,11-14H,3-4,10,15-16H2,1-2H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021422
PNG
(2,6,6-Trimethyl-bicyclo[3.1.1]heptane-3-carboxylic...)
Show SMILES CC1C2CC(CC1C(=O)OC1(C)CCN(C)CC1)C2(C)C
Show InChI InChI=1S/C18H31NO2/c1-12-14(10-13-11-15(12)17(13,2)3)16(20)21-18(4)6-8-19(5)9-7-18/h12-15H,6-11H2,1-5H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021439
PNG
(2-Phenethyl-benzoic acid 1-methyl-piperidin-4-yl e...)
Show SMILES CN1CCC(CC1)OC(=O)c1ccccc1CCc1ccccc1
Show InChI InChI=1S/C21H25NO2/c1-22-15-13-19(14-16-22)24-21(23)20-10-6-5-9-18(20)12-11-17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021436
PNG
(2-Phenethyl-benzoic acid 3-diethylamino-propyl est...)
Show SMILES CCN(CC)CCCOC(=O)c1ccccc1CCc1ccccc1
Show InChI InChI=1S/C22H29NO2/c1-3-23(4-2)17-10-18-25-22(24)21-14-9-8-13-20(21)16-15-19-11-6-5-7-12-19/h5-9,11-14H,3-4,10,15-18H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021427
PNG
(Biphenyl-2-carboxylic acid 2-diethylamino-1-methyl...)
Show SMILES CCN(CC)CC(C)OC(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C20H25NO2/c1-4-21(5-2)15-16(3)23-20(22)19-14-10-9-13-18(19)17-11-7-6-8-12-17/h6-14,16H,4-5,15H2,1-3H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021428
PNG
(Biphenyl-2-carboxylic acid 2-diethylamino-ethyl es...)
Show SMILES CCN(CC)CCOC(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H23NO2/c1-3-20(4-2)14-15-22-19(21)18-13-9-8-12-17(18)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021442
PNG
(2-Phenoxymethyl-benzoic acid 1-methyl-piperidin-4-...)
Show SMILES CN1CCC(CC1)OC(=O)c1ccccc1COc1ccccc1
Show InChI InChI=1S/C20H23NO3/c1-21-13-11-18(12-14-21)24-20(22)19-10-6-5-7-16(19)15-23-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021423
PNG
(3-Hydroxy-benzoic acid 1-methyl-piperidin-4-yl est...)
Show SMILES CN1CCC(CC1)OC(=O)c1cccc(O)c1
Show InChI InChI=1S/C13H17NO3/c1-14-7-5-12(6-8-14)17-13(16)10-3-2-4-11(15)9-10/h2-4,9,12,15H,5-8H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021443
PNG
(Biphenyl-2-carboxylic acid 1-methyl-piperidin-4-yl...)
Show SMILES CN1CCC(CC1)OC(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H21NO2/c1-20-13-11-16(12-14-20)22-19(21)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021419
PNG
(2-Methoxy-benzoic acid 1-methyl-piperidin-4-yl est...)
Show SMILES COc1ccccc1C(=O)OC1CCN(C)CC1
Show InChI InChI=1S/C14H19NO3/c1-15-9-7-11(8-10-15)18-14(16)12-5-3-4-6-13(12)17-2/h3-6,11H,7-10H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021445
PNG
(3-(3,4-Dimethoxy-phenyl)-propionic acid 1-methyl-p...)
Show SMILES COc1ccc(CCC(=O)OC2CCN(C)CC2)cc1OC
Show InChI InChI=1S/C17H25NO4/c1-18-10-8-14(9-11-18)22-17(19)7-5-13-4-6-15(20-2)16(12-13)21-3/h4,6,12,14H,5,7-11H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021435
PNG
(Biphenyl-4-carboxylic acid 1-methyl-piperidin-4-yl...)
Show SMILES CN1CCC(CC1)OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H21NO2/c1-20-13-11-18(12-14-20)22-19(21)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021440
PNG
(3-Methoxy-benzoic acid 1-methyl-piperidin-4-yl est...)
Show SMILES COc1cccc(c1)C(=O)OC1CCN(C)CC1
Show InChI InChI=1S/C14H19NO3/c1-15-8-6-12(7-9-15)18-14(16)11-4-3-5-13(10-11)17-2/h3-5,10,12H,6-9H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021437
PNG
(5-Ethyl-5-phenylbarbituric acid | 5-Phenyl-5-ethyl...)
Show SMILES CCC1(C(=O)NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021431
PNG
(2-Bromo-benzoic acid 1-methyl-piperidin-4-yl ester...)
Show SMILES CN1CCC(CC1)OC(=O)c1ccccc1Br
Show InChI InChI=1S/C13H16BrNO2/c1-15-8-6-10(7-9-15)17-13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021430
PNG
(2,4,5-Trimethyl-benzoic acid 1-methyl-piperidin-4-...)
Show SMILES CN1CCC(CC1)OC(=O)c1cc(C)c(C)cc1C
Show InChI InChI=1S/C16H23NO2/c1-11-9-13(3)15(10-12(11)2)16(18)19-14-5-7-17(4)8-6-14/h9-10,14H,5-8H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021429
PNG
(CHEMBL39512 | Propionic acid 1-methyl-piperidin-4-...)
Show SMILES CCC(=O)OC1CCN(C)CC1
Show InChI InChI=1S/C9H17NO2/c1-3-9(11)12-8-4-6-10(2)7-5-8/h8H,3-7H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021424
PNG
(4-Chloro-benzoic acid 1-methyl-piperidin-4-yl este...)
Show SMILES CN1CCC(CC1)OC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClNO2/c1-15-8-6-12(7-9-15)17-13(16)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021425
PNG
(CHEMBL39641 | Naphthalene-2-carboxylic acid 1-meth...)
Show SMILES CN1CCC(CC1)OC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H19NO2/c1-18-10-8-16(9-11-18)20-17(19)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12,16H,8-11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021426
PNG
(4-Methyl-benzoic acid 1-methyl-piperidin-4-yl este...)
Show SMILES CN1CCC(CC1)OC(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H19NO2/c1-11-3-5-12(6-4-11)14(16)17-13-7-9-15(2)10-8-13/h3-6,13H,7-10H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021420
PNG
(3,4-Dimethoxy-benzoic acid 1-methyl-piperidin-4-yl...)
Show SMILES COc1ccc(cc1OC)C(=O)OC1CCN(C)CC1
Show InChI InChI=1S/C15H21NO4/c1-16-8-6-12(7-9-16)20-15(17)11-4-5-13(18-2)14(10-11)19-3/h4-5,10,12H,6-9H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021434
PNG
(2-Benzoyl-benzoic acid 1-methyl-piperidin-4-yl est...)
Show SMILES CN1CCC(CC1)OC(=O)c1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C20H21NO3/c1-21-13-11-16(12-14-21)24-20(23)18-10-6-5-9-17(18)19(22)15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50240457
PNG
(2,4,5-Trimethyl-1H-pyrrole-3-carboxylic acid 1-met...)
Show SMILES CN1CCC(CC1)OC(=O)c1c(C)[nH]c(C)c1C
Show InChI InChI=1S/C14H22N2O2/c1-9-10(2)15-11(3)13(9)14(17)18-12-5-7-16(4)8-6-12/h12,15H,5-8H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50021433
PNG
(Adamantane-1-carboxylic acid 1,4-dimethyl-piperidi...)
Show SMILES CN1CCC(C)(CC1)OC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C18H29NO2/c1-17(3-5-19(2)6-4-17)21-16(20)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,3-12H2,1-2H3/t13-,14+,15-,18?
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n/an/a 1.15E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50003655
PNG
(PHENYTOIN | Phenytoin)
Show SMILES O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
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n/an/a 1.85E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


Article DOI: 10.1021/jm00158a032
BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair