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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'fariello' and Initial = 'rg'   
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
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50080949
PNG
((S)-2-[4-(3-Phenyl-propoxy)-benzylamino]-propionam...)
Show SMILES C[C@H](NCc1ccc(OCCCc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C19H24N2O2/c1-15(19(20)22)21-14-17-9-11-18(12-10-17)23-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,21H,5,8,13-14H2,1H3,(H2,20,22)/t15-/m0/s1
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n/an/a 19n/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)


BindingDB Entry DOI: 10.7270/Q29887HT
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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50080940
PNG
((S)-2-[4-(3-Fluoro-benzylamino)-benzylamino]-propi...)
Show SMILES C[C@H](NCc1ccc(NCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H20FN3O/c1-12(17(19)22)20-10-13-5-7-16(8-6-13)21-11-14-3-2-4-15(18)9-14/h2-9,12,20-21H,10-11H2,1H3,(H2,19,22)/t12-/m0/s1
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n/an/a 34n/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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50080941
PNG
((R)-2-[4-(3-Fluoro-benzylamino)-benzylamino]-propi...)
Show SMILES C[C@@H](NCc1ccc(NCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H20FN3O/c1-12(17(19)22)20-10-13-5-7-16(8-6-13)21-11-14-3-2-4-15(18)9-14/h2-9,12,20-21H,10-11H2,1H3,(H2,19,22)/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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50080948
PNG
((R)-2-[4-(3-Phenyl-propoxy)-benzylamino]-propionam...)
Show SMILES C[C@@H](NCc1ccc(OCCCc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C19H24N2O2/c1-15(19(20)22)21-14-17-9-11-18(12-10-17)23-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,21H,5,8,13-14H2,1H3,(H2,20,22)/t15-/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)


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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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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50080943
PNG
((S)-2-[4-(4-Phenyl-butoxy)-benzylamino]-propionami...)
Show SMILES C[C@H](NCc1ccc(OCCCCc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C20H26N2O2/c1-16(20(21)23)22-15-18-10-12-19(13-11-18)24-14-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-13,16,22H,5-6,9,14-15H2,1H3,(H2,21,23)/t16-/m0/s1
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n/an/a 550n/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)


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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50080943
PNG
((S)-2-[4-(4-Phenyl-butoxy)-benzylamino]-propionami...)
Show SMILES C[C@H](NCc1ccc(OCCCCc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C20H26N2O2/c1-16(20(21)23)22-15-18-10-12-19(13-11-18)24-14-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-13,16,22H,5-6,9,14-15H2,1H3,(H2,21,23)/t16-/m0/s1
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n/an/a 1.10E+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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50366613
PNG
(DEXTROMETHORPHAN)
Show SMILES COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 |r,THB:17:16:5.18.6:8|
Show InChI InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
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n/an/a 1.30E+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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50080942
PNG
((S)-2-[4-(5-Phenyl-pentyloxy)-benzylamino]-propion...)
Show SMILES C[C@H](NCc1ccc(OCCCCCc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C21H28N2O2/c1-17(21(22)24)23-16-19-11-13-20(14-12-19)25-15-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-14,17,23H,3,6-7,10,15-16H2,1H3,(H2,22,24)/t17-/m0/s1
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n/an/a 1.40E+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)


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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50080948
PNG
((R)-2-[4-(3-Phenyl-propoxy)-benzylamino]-propionam...)
Show SMILES C[C@@H](NCc1ccc(OCCCc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C19H24N2O2/c1-15(19(20)22)21-14-17-9-11-18(12-10-17)23-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,21H,5,8,13-14H2,1H3,(H2,20,22)/t15-/m1/s1
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n/an/a 7.80E+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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a>1.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50080942
PNG
((S)-2-[4-(5-Phenyl-pentyloxy)-benzylamino]-propion...)
Show SMILES C[C@H](NCc1ccc(OCCCCCc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C21H28N2O2/c1-17(21(22)24)23-16-19-11-13-20(14-12-19)25-15-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-14,17,23H,3,6-7,10,15-16H2,1H3,(H2,22,24)/t17-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50080939
PNG
((S)-2-(4-Methoxy-benzylamino)-propionamide | CHEMB...)
Show SMILES COc1ccc(CN[C@@H](C)C(N)=O)cc1
Show InChI InChI=1S/C11H16N2O2/c1-8(11(12)14)13-7-9-3-5-10(15-2)6-4-9/h3-6,8,13H,7H2,1-2H3,(H2,12,14)/t8-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50080941
PNG
((R)-2-[4-(3-Fluoro-benzylamino)-benzylamino]-propi...)
Show SMILES C[C@@H](NCc1ccc(NCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H20FN3O/c1-12(17(19)22)20-10-13-5-7-16(8-6-13)21-11-14-3-2-4-15(18)9-14/h2-9,12,20-21H,10-11H2,1H3,(H2,19,22)/t12-/m1/s1
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n/an/a 1.13E+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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50080949
PNG
((S)-2-[4-(3-Phenyl-propoxy)-benzylamino]-propionam...)
Show SMILES C[C@H](NCc1ccc(OCCCc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C19H24N2O2/c1-15(19(20)22)21-14-17-9-11-18(12-10-17)23-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,21H,5,8,13-14H2,1H3,(H2,20,22)/t15-/m0/s1
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n/an/a 1.32E+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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50080940
PNG
((S)-2-[4-(3-Fluoro-benzylamino)-benzylamino]-propi...)
Show SMILES C[C@H](NCc1ccc(NCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H20FN3O/c1-12(17(19)22)20-10-13-5-7-16(8-6-13)21-11-14-3-2-4-15(18)9-14/h2-9,12,20-21H,10-11H2,1H3,(H2,19,22)/t12-/m0/s1
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n/an/a 1.39E+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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50366613
PNG
(DEXTROMETHORPHAN)
Show SMILES COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 |r,THB:17:16:5.18.6:8|
Show InChI InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
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n/an/a>1.00E+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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a>1.00E+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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50080939
PNG
((S)-2-(4-Methoxy-benzylamino)-propionamide | CHEMB...)
Show SMILES COc1ccc(CN[C@@H](C)C(N)=O)cc1
Show InChI InChI=1S/C11H16N2O2/c1-8(11(12)14)13-7-9-3-5-10(15-2)6-4-9/h3-6,8,13H,7H2,1-2H3,(H2,12,14)/t8-/m0/s1
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n/an/a 1.46E+5n/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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50217151
PNG
(CHEMBL419673)
Show SMILES C[C@H](NCc1ccc(OCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C17H19NO3/c1-13(17(19)20)18-11-14-7-9-16(10-8-14)21-12-15-5-3-2-4-6-15/h2-10,13,18H,11-12H2,1H3,(H,19,20)/t13-/m0/s1
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n/an/a 1.51E+5n/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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 1.86E+5n/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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50080940
PNG
((S)-2-[4-(3-Fluoro-benzylamino)-benzylamino]-propi...)
Show SMILES C[C@H](NCc1ccc(NCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H20FN3O/c1-12(17(19)22)20-10-13-5-7-16(8-6-13)21-11-14-3-2-4-15(18)9-14/h2-9,12,20-21H,10-11H2,1H3,(H2,19,22)/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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50080949
PNG
((S)-2-[4-(3-Phenyl-propoxy)-benzylamino]-propionam...)
Show SMILES C[C@H](NCc1ccc(OCCCc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C19H24N2O2/c1-15(19(20)22)21-14-17-9-11-18(12-10-17)23-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,21H,5,8,13-14H2,1H3,(H2,20,22)/t15-/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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50217151
PNG
(CHEMBL419673)
Show SMILES C[C@H](NCc1ccc(OCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C17H19NO3/c1-13(17(19)20)18-11-14-7-9-16(10-8-14)21-12-15-5-3-2-4-6-15/h2-10,13,18H,11-12H2,1H3,(H,19,20)/t13-/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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50080948
PNG
((R)-2-[4-(3-Phenyl-propoxy)-benzylamino]-propionam...)
Show SMILES C[C@@H](NCc1ccc(OCCCc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C19H24N2O2/c1-15(19(20)22)21-14-17-9-11-18(12-10-17)23-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,21H,5,8,13-14H2,1H3,(H2,20,22)/t15-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50080939
PNG
((S)-2-(4-Methoxy-benzylamino)-propionamide | CHEMB...)
Show SMILES COc1ccc(CN[C@@H](C)C(N)=O)cc1
Show InChI InChI=1S/C11H16N2O2/c1-8(11(12)14)13-7-9-3-5-10(15-2)6-4-9/h3-6,8,13H,7H2,1-2H3,(H2,12,14)/t8-/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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(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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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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50080942
PNG
((S)-2-[4-(5-Phenyl-pentyloxy)-benzylamino]-propion...)
Show SMILES C[C@H](NCc1ccc(OCCCCCc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C21H28N2O2/c1-17(21(22)24)23-16-19-11-13-20(14-12-19)25-15-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-14,17,23H,3,6-7,10,15-16H2,1H3,(H2,22,24)/t17-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50080943
PNG
((S)-2-[4-(4-Phenyl-butoxy)-benzylamino]-propionami...)
Show SMILES C[C@H](NCc1ccc(OCCCCc2ccccc2)cc1)C(N)=O
Show InChI InChI=1S/C20H26N2O2/c1-16(20(21)23)22-15-18-10-12-19(13-11-18)24-14-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-13,16,22H,5-6,9,14-15H2,1H3,(H2,21,23)/t16-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50080941
PNG
((R)-2-[4-(3-Fluoro-benzylamino)-benzylamino]-propi...)
Show SMILES C[C@@H](NCc1ccc(NCc2cccc(F)c2)cc1)C(N)=O
Show InChI InChI=1S/C17H20FN3O/c1-12(17(19)22)20-10-13-5-7-16(8-6-13)21-11-14-3-2-4-15(18)9-14/h2-9,12,20-21H,10-11H2,1H3,(H2,19,22)/t12-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q29887HT
More data for this
Ligand-Target Pair