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8 similar compounds to monomer 19187

Compile data set for download or QSAR
Wt: 302.3
BDBM50078694
Purchase
Wt: 332.3
BDBM50080945
Wt: 332.3
BDBM50080947
Wt: 302.3
BDBM50080950
Wt: 302.3
BDBM161094
Purchase
Wt: 288.3
BDBM50221292
Wt: 364.4
BDBM50221282
Wt: 318.3
BDBM50221289

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50078694,50080945,50080947,50080950,161094,50221292,50221282,50221289   
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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM161094
PNG
(US9051240, (S)-(+)-2-[4-(2-Fluorobenzyloxy)-benzyl...)
Show SMILES C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-6-8-15(9-7-13)22-11-14-4-2-3-5-16(14)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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US Patent
n/an/a 200n/an/an/an/a7.4n/a



Newron Pharmaceuticals S.P.A.

US Patent


Assay Description
The enzyme activity was assessed with a radioenzymatic assay using the substrate 14C-phenylethylamine (PEA) specific for MAO-B.The mitochondrial pell...


US Patent US9051240 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99J2
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM161094
PNG
(US9051240, (S)-(+)-2-[4-(2-Fluorobenzyloxy)-benzyl...)
Show SMILES C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-6-8-15(9-7-13)22-11-14-4-2-3-5-16(14)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a 1.75E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50080947
PNG
((R)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-3-hydro...)
Show SMILES CNC(=O)[C@@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C18H21FN2O3/c1-20-18(23)17(11-22)21-10-13-5-7-16(8-6-13)24-12-14-3-2-4-15(19)9-14/h2-9,17,21-22H,10-12H2,1H3,(H,20,23)/t17-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]saxitoxin binding to rat brain sodium channel


Bioorg Med Chem Lett 9: 2521-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00415-1
BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50080947
PNG
((R)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-3-hydro...)
Show SMILES CNC(=O)[C@@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C18H21FN2O3/c1-20-18(23)17(11-22)21-10-13-5-7-16(8-6-13)24-12-14-3-2-4-15(19)9-14/h2-9,17,21-22H,10-12H2,1H3,(H,20,23)/t17-/m1/s1
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n/an/a 1.79E+4n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]batrachotoxin binding to rat brain sodium channel


Bioorg Med Chem Lett 9: 2521-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00415-1
BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50080950
PNG
((R)-2-(4-(3-fluorobenzyloxy)benzylamino)propanamid...)
Show SMILES C[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]saxitoxin binding to rat brain sodium channel


Bioorg Med Chem Lett 9: 2521-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00415-1
BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50221282
PNG
((S)-2-({4-[(3-fluorobenzyl)oxy]benzyl}amino)-2-phe...)
Show SMILES NC(=O)[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)c1ccccc1
Show InChI InChI=1S/C22H21FN2O2/c23-19-8-4-5-17(13-19)15-27-20-11-9-16(10-12-20)14-25-21(22(24)26)18-6-2-1-3-7-18/h1-13,21,25H,14-15H2,(H2,24,26)/t21-/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of rat brain mitochondria MAOA by radioenzymatic assay


J Med Chem 50: 4909-16 (2007)


Article DOI: 10.1021/jm070725e
BindingDB Entry DOI: 10.7270/Q2J9663S
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50221289
PNG
((S)-N2-{4-[(3-fluorobenzyl)oxy]benzyl}serinamide |...)
Show SMILES NC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C17H19FN2O3/c18-14-3-1-2-13(8-14)11-23-15-6-4-12(5-7-15)9-20-16(10-21)17(19)22/h1-8,16,20-21H,9-11H2,(H2,19,22)/t16-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of rat brain mitochondria MAOB by radioenzymatic assay


J Med Chem 50: 4909-16 (2007)


Article DOI: 10.1021/jm070725e
BindingDB Entry DOI: 10.7270/Q2J9663S
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50080950
PNG
((R)-2-(4-(3-fluorobenzyloxy)benzylamino)propanamid...)
Show SMILES C[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of rat brain mitochondria MAOB by radioenzymatic assay


J Med Chem 50: 4909-16 (2007)


Article DOI: 10.1021/jm070725e
BindingDB Entry DOI: 10.7270/Q2J9663S
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50221292
PNG
(CHEMBL231583 | N2-{4-[(3-fluorobenzyl)oxy]benzyl}g...)
Show SMILES NC(=O)CNCc1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C16H17FN2O2/c17-14-3-1-2-13(8-14)11-21-15-6-4-12(5-7-15)9-19-10-16(18)20/h1-8,19H,9-11H2,(H2,18,20)
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n/an/a 2.24E+3n/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of rat brain mitochondria MAOB by radioenzymatic assay


J Med Chem 50: 4909-16 (2007)


Article DOI: 10.1021/jm070725e
BindingDB Entry DOI: 10.7270/Q2J9663S
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50080950
PNG
((R)-2-(4-(3-fluorobenzyloxy)benzylamino)propanamid...)
Show SMILES C[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m1/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of rat brain mitochondria MAOA by radioenzymatic assay


J Med Chem 50: 4909-16 (2007)


Article DOI: 10.1021/jm070725e
BindingDB Entry DOI: 10.7270/Q2J9663S
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50221289
PNG
((S)-N2-{4-[(3-fluorobenzyl)oxy]benzyl}serinamide |...)
Show SMILES NC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C17H19FN2O3/c18-14-3-1-2-13(8-14)11-23-15-6-4-12(5-7-15)9-20-16(10-21)17(19)22/h1-8,16,20-21H,9-11H2,(H2,19,22)/t16-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of rat brain mitochondria MAOA by radioenzymatic assay


J Med Chem 50: 4909-16 (2007)


Article DOI: 10.1021/jm070725e
BindingDB Entry DOI: 10.7270/Q2J9663S
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50221282
PNG
((S)-2-({4-[(3-fluorobenzyl)oxy]benzyl}amino)-2-phe...)
Show SMILES NC(=O)[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)c1ccccc1
Show InChI InChI=1S/C22H21FN2O2/c23-19-8-4-5-17(13-19)15-27-20-11-9-16(10-12-20)14-25-21(22(24)26)18-6-2-1-3-7-18/h1-13,21,25H,14-15H2,(H2,24,26)/t21-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of rat brain mitochondria MAOB by radioenzymatic assay


J Med Chem 50: 4909-16 (2007)


Article DOI: 10.1021/jm070725e
BindingDB Entry DOI: 10.7270/Q2J9663S
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50221292
PNG
(CHEMBL231583 | N2-{4-[(3-fluorobenzyl)oxy]benzyl}g...)
Show SMILES NC(=O)CNCc1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C16H17FN2O2/c17-14-3-1-2-13(8-14)11-21-15-6-4-12(5-7-15)9-19-10-16(18)20/h1-8,19H,9-11H2,(H2,18,20)
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n/an/a 1.36E+4n/an/an/an/an/an/a



University of Bari

Curated by ChEMBL


Assay Description
Inhibition of rat brain mitochondria MAOA by radioenzymatic assay


J Med Chem 50: 4909-16 (2007)


Article DOI: 10.1021/jm070725e
BindingDB Entry DOI: 10.7270/Q2J9663S
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50078694
PNG
((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Show SMILES C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Opioid receptor sigma 1


Bioorg Med Chem Lett 9: 2521-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00415-1
BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50080947
PNG
((R)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-3-hydro...)
Show SMILES CNC(=O)[C@@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C18H21FN2O3/c1-20-18(23)17(11-22)21-10-13-5-7-16(8-6-13)24-12-14-3-2-4-15(19)9-14/h2-9,17,21-22H,10-12H2,1H3,(H,20,23)/t17-/m1/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Opioid receptor sigma 1


Bioorg Med Chem Lett 9: 2521-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00415-1
BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50080950
PNG
((R)-2-(4-(3-fluorobenzyloxy)benzylamino)propanamid...)
Show SMILES C[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Opioid receptor sigma 1


Bioorg Med Chem Lett 9: 2521-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00415-1
BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50080945
PNG
((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-3-hydro...)
Show SMILES CNC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C18H21FN2O3/c1-20-18(23)17(11-22)21-10-13-5-7-16(8-6-13)24-12-14-3-2-4-15(19)9-14/h2-9,17,21-22H,10-12H2,1H3,(H,20,23)/t17-/m0/s1
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n/an/a 588n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Opioid receptor sigma 1


Bioorg Med Chem Lett 9: 2521-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00415-1
BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50078694
PNG
((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Show SMILES C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Binding of [3H]batrachotoxin (BTX) to rat brain sodium channel


Bioorg Med Chem Lett 9: 1783-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00271-1
BindingDB Entry DOI: 10.7270/Q28K7C8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50078694
PNG
((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Show SMILES C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Binding of [3H]saxitoxin (STX) to rat brain sodium channel


Bioorg Med Chem Lett 9: 1783-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00271-1
BindingDB Entry DOI: 10.7270/Q28K7C8R
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50080945
PNG
((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-3-hydro...)
Show SMILES CNC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C18H21FN2O3/c1-20-18(23)17(11-22)21-10-13-5-7-16(8-6-13)24-12-14-3-2-4-15(19)9-14/h2-9,17,21-22H,10-12H2,1H3,(H,20,23)/t17-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]saxitoxin binding to rat brain sodium channel


Bioorg Med Chem Lett 9: 2521-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00415-1
BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50080950
PNG
((R)-2-(4-(3-fluorobenzyloxy)benzylamino)propanamid...)
Show SMILES C[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m1/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]batrachotoxin binding to rat brain sodium channel


Bioorg Med Chem Lett 9: 2521-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00415-1
BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50078694
PNG
((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Show SMILES C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]batrachotoxin binding to rat brain sodium channel


Bioorg Med Chem Lett 9: 2521-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00415-1
BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50080945
PNG
((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-3-hydro...)
Show SMILES CNC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C18H21FN2O3/c1-20-18(23)17(11-22)21-10-13-5-7-16(8-6-13)24-12-14-3-2-4-15(19)9-14/h2-9,17,21-22H,10-12H2,1H3,(H,20,23)/t17-/m0/s1
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n/an/a 2.63E+4n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]batrachotoxin binding to rat brain sodium channel


Bioorg Med Chem Lett 9: 2521-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00415-1
BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50078694
PNG
((S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propion...)
Show SMILES C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of [3H]saxitoxin binding to rat brain sodium channel


Bioorg Med Chem Lett 9: 2521-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00415-1
BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair