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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'fukunaga' and Initial = 'a'   
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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50263669
PNG
((1aS,7aS)-7-(hydroxyimino)-N-phenyl-1,1a,7,7a-tetr...)
Show SMILES O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C17H14N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-9,13,15H,10H2,(H,18,20)/t13-,15?,17-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of glutamate-evoked (10 uM) [Ca2+] mobilization in mGluR1-alpha expressed-CHO cells.


Bioorg Med Chem Lett 6: 763-766 (1996)


Article DOI: 10.1016/0960-894X(96)00104-7
BindingDB Entry DOI: 10.7270/Q2WS8T7Q
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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50289106
PNG
(2-[(E)-Hydroxyimino]-1a,2-dihydro-1H-7-oxa-cyclopr...)
Show SMILES CN(C(=O)C12CC1C(N=O)c1ccccc1O2)c1ccccc1
Show InChI InChI=1S/C18H16N2O3/c1-20(12-7-3-2-4-8-12)17(21)18-11-14(18)16(19-22)13-9-5-6-10-15(13)23-18/h2-10,14,16H,11H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of glutamate-evoked (10 uM) [Ca2+] mobilization in mGluR1-alpha expressed-CHO cells.


Bioorg Med Chem Lett 6: 763-766 (1996)


Article DOI: 10.1016/0960-894X(96)00104-7
BindingDB Entry DOI: 10.7270/Q2WS8T7Q
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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM86213
PNG
(CAS_5126051 | CHEMBL327783 | CPCCOEt | NSC_5126051)
Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2
Show InChI InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,11H,2,7H2,1H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of glutamate-evoked (10 uM) [Ca2+] mobilization in mGluR1-alpha expressed-CHO cells.


Bioorg Med Chem Lett 6: 763-766 (1996)


Article DOI: 10.1016/0960-894X(96)00104-7
BindingDB Entry DOI: 10.7270/Q2WS8T7Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50030628
PNG
((S)-4C3HPG | 4-(Amino-carboxy-methyl)-2-hydroxy-be...)
Show SMILES NC(C(O)=O)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)
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n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of glutamate-evoked (10 uM) [Ca2+] mobilization in mGluR1-alpha expressed-CHO cells.


Bioorg Med Chem Lett 6: 763-766 (1996)


Article DOI: 10.1016/0960-894X(96)00104-7
BindingDB Entry DOI: 10.7270/Q2WS8T7Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50030627
PNG
((+-)-MCPG | (R,S)-alpha-Methyl-4-carboxyphenylglyc...)
Show SMILES CC(N)(C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)
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n/an/a 7.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of glutamate-evoked (10 uM) [Ca2+] mobilization in mGluR1-alpha expressed-CHO cells.


Bioorg Med Chem Lett 6: 763-766 (1996)


Article DOI: 10.1016/0960-894X(96)00104-7
BindingDB Entry DOI: 10.7270/Q2WS8T7Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)