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Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'tamura-horikawa' and Initial = 'y'   
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
GRIA3


(RAT)
BDBM50252103
PNG
((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...)
Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/s2
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1.5n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/s2
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1.80n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM85740
PNG
(Dysiherbaine)
Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O
Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1
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26n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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62n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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62n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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89n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM85740
PNG
(Dysiherbaine)
Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O
Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1
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153n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50252103
PNG
((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...)
Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/s2
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927n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50002343
PNG
(2-Methylamino-succinic acid | CHEMBL275325 | NMDA)
Show SMILES CNC(CC(O)=O)C(O)=O
Show InChI InChI=1/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)
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3.90E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM85740
PNG
(Dysiherbaine)
Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O
Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(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)


Article DOI: 10.1016/s0960-894x(99)00516-8
BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(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)


Article DOI: 10.1016/s0960-894x(99)00516-8
BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(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)


Article DOI: 10.1016/s0960-894x(99)00516-8
BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(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)


Article DOI: 10.1016/s0960-894x(99)00516-8
BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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)


Article DOI: 10.1016/s0960-894x(99)00516-8
BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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



Suntory Biomedical Research Limited

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibitory effect on Dopamine receptor D2 determined in competition experiments with [3H]raclopride


J Med Chem 43: 3372-6 (2000)


Article DOI: 10.1021/jm000143w
BindingDB Entry DOI: 10.7270/Q27945CD
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(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)


Article DOI: 10.1016/s0960-894x(99)00516-8
BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(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)


Article DOI: 10.1016/s0960-894x(99)00516-8
BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(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=1/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)


Article DOI: 10.1016/s0960-894x(99)00516-8
BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50091592
PNG
(7-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1-yl...)
Show SMILES CC(C)c1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c(O)\c(c1)=N\CCO
Show InChI InChI=1S/C30H35F2N3O2/c1-21(2)24-3-4-25(30(37)28(19-24)33-13-18-36)20-34-14-16-35(17-15-34)29(22-5-9-26(31)10-6-22)23-7-11-27(32)12-8-23/h3-12,19,21,29,36H,13-18,20H2,1-2H3,(H,33,37)
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n/an/a 1.69E+3n/an/an/an/an/an/a



Suntory Biomedical Research Limited

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibitory effect on Dopamine receptor D2 determined in competition experiments with [3H]raclopride


J Med Chem 43: 3372-6 (2000)


Article DOI: 10.1021/jm000143w
BindingDB Entry DOI: 10.7270/Q27945CD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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)


Article DOI: 10.1016/s0960-894x(99)00516-8
BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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)


Article DOI: 10.1016/s0960-894x(99)00516-8
BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(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)


Article DOI: 10.1016/s0960-894x(99)00516-8
BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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)


Article DOI: 10.1016/s0960-894x(99)00516-8
BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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)


Article DOI: 10.1016/s0960-894x(99)00516-8
BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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=1/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)


Article DOI: 10.1016/s0960-894x(99)00516-8
BindingDB Entry DOI: 10.7270/Q2D21Z3B
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50091591
PNG
((2S)-1-(4-amino-2,3,5-trimethylphenoxy)-3-{4-[4-(4...)
Show SMILES Cc1cc(OC[C@@H](O)CN2CCN(CC2)c2ccc(Cc3ccc(F)cc3)cc2)c(C)c(C)c1N
Show InChI InChI=1S/C29H36FN3O2/c1-20-16-28(21(2)22(3)29(20)31)35-19-27(34)18-32-12-14-33(15-13-32)26-10-6-24(7-11-26)17-23-4-8-25(30)9-5-23/h4-11,16,27,34H,12-15,17-19,31H2,1-3H3/t27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Suntory Biomedical Research Limited

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibitory effect on Dopamine receptor D2 determined in competition experiments with [3H]raclopride


J Med Chem 43: 3372-6 (2000)


Article DOI: 10.1021/jm000143w
BindingDB Entry DOI: 10.7270/Q27945CD
More data for this
Ligand-Target Pair