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PubMed code 10571163

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50082319
PNG
((R)-1-Phenoxy-3-[4-(4-phenoxy-phenyl)-piperidin-1-...)
Show SMILES O[C@@H](COc1ccccc1)CN1CCC(CC1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25/h1-14,22-23,28H,15-20H2/t23-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced depolarization in rat cerebrocortical synaptosomes using the voltage sensitive fluorescent dye Rhodamine 6G

Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50082324
PNG
((S)-1-Phenoxy-3-[4-(4-phenoxy-phenyl)-piperidin-1-...)
Show SMILES O[C@H](COc1ccccc1)CN1CCC(CC1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25/h1-14,22-23,28H,15-20H2/t23-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced depolarization in rat cerebrocortical synaptosomes using the voltage sensitive fluorescent dye Rhodamine 6G

Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50082323
PNG
(4-[4-(4-Fluoro-benzyl)-phenyl]-1-((E)-3-phenyl-all...)
Show SMILES Fc1ccc(Cc2ccc(cc2)C2CCN(C\C=C\c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H28FN/c28-27-14-10-24(11-15-27)21-23-8-12-25(13-9-23)26-16-19-29(20-17-26)18-4-7-22-5-2-1-3-6-22/h1-15,26H,16-21H2/b7-4+
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n/an/a 190n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced depolarization in rat cerebrocortical synaptosomes using the voltage sensitive fluorescent dye Rhodamine 6G

Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50082319
PNG
((R)-1-Phenoxy-3-[4-(4-phenoxy-phenyl)-piperidin-1-...)
Show SMILES O[C@@H](COc1ccccc1)CN1CCC(CC1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25/h1-14,22-23,28H,15-20H2/t23-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced depolarization in rat cerebrocortical synaptosomes using the voltage sensitive fluorescent dye Rhodamine 6G

Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50017702
PNG
(1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine...)
Show SMILES Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
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n/an/a 228n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to Dopamine receptor D2 of rat striatum membranes

Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50017702
PNG
(1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine...)
Show SMILES Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
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n/an/a 290n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced depolarization in rat cerebrocortical synaptosomes using the voltage sensitive fluorescent dye Rhodamine 6G

Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50082320
PNG
(4-(4-Phenoxy-phenyl)-1-((E)-3-phenyl-allyl)-piperi...)
Show SMILES C(\C=C\c1ccccc1)N1CCC(CC1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO/c1-3-8-22(9-4-1)10-7-19-27-20-17-24(18-21-27)23-13-15-26(16-14-23)28-25-11-5-2-6-12-25/h1-16,24H,17-21H2/b10-7+
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n/an/a 320n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced depolarization in rat cerebrocortical synaptosomes using the voltage sensitive fluorescent dye Rhodamine 6G

Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50082322
PNG
(1-{4-[4-(4-Fluoro-benzyl)-phenyl]-piperidin-1-yl}-...)
Show SMILES OC(COc1ccccc1)CN1CCC(CC1)c1ccc(Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H30FNO2/c28-25-12-8-22(9-13-25)18-21-6-10-23(11-7-21)24-14-16-29(17-15-24)19-26(30)20-31-27-4-2-1-3-5-27/h1-13,24,26,30H,14-20H2
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n/an/a 360n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced depolarization in rat cerebrocortical synaptosomes using the voltage sensitive fluorescent dye Rhodamine 6G

Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50082320
PNG
(4-(4-Phenoxy-phenyl)-1-((E)-3-phenyl-allyl)-piperi...)
Show SMILES C(\C=C\c1ccccc1)N1CCC(CC1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO/c1-3-8-22(9-4-1)10-7-19-27-20-17-24(18-21-27)23-13-15-26(16-14-23)28-25-11-5-2-6-12-25/h1-16,24H,17-21H2/b10-7+
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n/an/a 2.68E+3n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to Dopamine receptor D2 of rat striatum membranes

Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50082323
PNG
(4-[4-(4-Fluoro-benzyl)-phenyl]-1-((E)-3-phenyl-all...)
Show SMILES Fc1ccc(Cc2ccc(cc2)C2CCN(C\C=C\c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H28FN/c28-27-14-10-24(11-15-27)21-23-8-12-25(13-9-23)26-16-19-29(20-17-26)18-4-7-22-5-2-1-3-6-22/h1-15,26H,16-21H2/b7-4+
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n/an/a 3.38E+3n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to Dopamine receptor D2 of rat striatum membranes

Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50082319
PNG
((R)-1-Phenoxy-3-[4-(4-phenoxy-phenyl)-piperidin-1-...)
Show SMILES O[C@@H](COc1ccccc1)CN1CCC(CC1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25/h1-14,22-23,28H,15-20H2/t23-/m1/s1
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n/an/a 4.08E+3n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to Dopamine receptor D2 of rat striatum membranes

Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50082324
PNG
((S)-1-Phenoxy-3-[4-(4-phenoxy-phenyl)-piperidin-1-...)
Show SMILES O[C@H](COc1ccccc1)CN1CCC(CC1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25/h1-14,22-23,28H,15-20H2/t23-/m0/s1
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n/an/a 4.34E+3n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to Dopamine receptor D2 of rat striatum membranes

Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50082319
PNG
((R)-1-Phenoxy-3-[4-(4-phenoxy-phenyl)-piperidin-1-...)
Show SMILES O[C@@H](COc1ccccc1)CN1CCC(CC1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25/h1-14,22-23,28H,15-20H2/t23-/m1/s1
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n/an/a 4.64E+3n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to Dopamine receptor D2 of rat striatum membranes

Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50082322
PNG
(1-{4-[4-(4-Fluoro-benzyl)-phenyl]-piperidin-1-yl}-...)
Show SMILES OC(COc1ccccc1)CN1CCC(CC1)c1ccc(Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H30FNO2/c28-25-12-8-22(9-13-25)18-21-6-10-23(11-7-21)24-14-16-29(17-15-24)19-26(30)20-31-27-4-2-1-3-5-27/h1-13,24,26,30H,14-20H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to Dopamine receptor D2 of rat striatum membranes

Bioorg Med Chem Lett 9: 2999-3002 (1999)


BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%