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PubMed code 15999145

Compile data set for download or QSAR
Found 62 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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PubMed
0.951n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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PubMed
1.92n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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2.89n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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8.24n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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66.7n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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70.5n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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88n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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128n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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261n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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327n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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425n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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726n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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733n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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740n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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854n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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914n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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1.19E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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1.42E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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1.44E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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1.58E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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1.59E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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1.60E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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1.75E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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1.88E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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1.90E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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2.12E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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2.39E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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2.50E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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2.60E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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2.75E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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2.87E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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2.96E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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3.02E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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3.42E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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3.67E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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3.87E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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3.93E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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5.00E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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5.62E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
PDB
MMDB

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM81780
PNG
(CAS_6438382 | NSC_6438382 | SR 46349B)
Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 31: 265-77 (2006)


Article DOI: 10.1038/sj.npp.1300819
BindingDB Entry DOI: 10.7270/Q2KW5DMS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%