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PubMed code 20812727

Compile data set for download or QSAR
Found 157 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
HTR4


(GUINEA PIG)
BDBM50327858
PNG
((1-Butylpiperidin-4-yl)methyl 8-amino-7-iodo-2,3-d...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(I)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27IN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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0.200n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in guinea pig striatal membranes


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50327865
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-(2-fluoroe...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OCCF)c2)CC1
Show InChI InChI=1S/C19H29FN2O3/c1-2-3-9-22-10-6-15(7-11-22)14-25-19(23)16-4-5-17(21)18(13-16)24-12-8-20/h4-5,13,15H,2-3,6-12,14,21H2,1H3
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0.215n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in guinea pig striatal membranes


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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0.334n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in guinea pig striatal membranes


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50327864
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-(fluoromet...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OCF)c2)CC1
Show InChI InChI=1S/C18H27FN2O3/c1-2-3-8-21-9-6-14(7-10-21)12-23-18(22)15-4-5-16(20)17(11-15)24-13-19/h4-5,11,14H,2-3,6-10,12-13,20H2,1H3
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0.334n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in guinea pig striatal membranes


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50327859
PNG
((1-Butylpiperidin-4-yl)methyl 8-amino-7-cyano-2,3-...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(C#N)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C20H27N3O4/c1-2-3-6-23-7-4-14(5-8-23)13-27-20(24)16-11-15(12-21)17(22)19-18(16)25-9-10-26-19/h11,14H,2-10,13,22H2,1H3
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0.450n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in guinea pig striatal membranes


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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0.577n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in guinea pig striatal membranes


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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0.738n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in guinea pig striatal membranes


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50327862
PNG
((1-Propylpiperidin-4-yl)methyl 4-Amino-3-methoxybe...)
Show SMILES CCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C17H26N2O3/c1-3-8-19-9-6-13(7-10-19)12-22-17(20)14-4-5-15(18)16(11-14)21-2/h4-5,11,13H,3,6-10,12,18H2,1-2H3
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0.901n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in guinea pig striatal membranes


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327866
PNG
((1-butylpiperidin-4-yl)methyl 8-amino-2,3-dihydrob...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H28N2O4/c1-2-3-8-21-9-6-14(7-10-21)13-25-19(22)15-4-5-16(20)18-17(15)23-11-12-24-18/h4-5,14H,2-3,6-13,20H2,1H3
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1.40n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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2n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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2.10n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327858
PNG
((1-Butylpiperidin-4-yl)methyl 8-amino-7-iodo-2,3-d...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(I)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27IN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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2.20n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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2.40n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327869
PNG
((1-Butylpiperidin-4-yl)methyl 7-bromo-8-(methylami...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Br)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29BrN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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4.5n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327868
PNG
((1-Butylpiperidin-4-yl)methyl 8-amino-7-methyl-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(C)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C20H30N2O4/c1-3-4-7-22-8-5-15(6-9-22)13-26-20(23)16-12-14(2)17(21)19-18(16)24-10-11-25-19/h12,15H,3-11,13,21H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327870
PNG
((1-Butylpiperidin-4-yl)methyl 7-iodo-8-(methylamin...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(I)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29IN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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7.40n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327875
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-nitro-2,3-...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(c(N)c3OCCOc23)[N+]([O-])=O)CC1
Show InChI InChI=1S/C19H27N3O6/c1-2-3-6-21-7-4-13(5-8-21)12-28-19(23)14-11-15(22(24)25)16(20)18-17(14)26-9-10-27-18/h11,13H,2-10,12,20H2,1H3
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7.80n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327867
PNG
((1-Butylpiperidin-4-yl)methyl 8-(methylamino)-2,3-...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H30N2O4/c1-3-4-9-22-10-7-15(8-11-22)14-26-20(23)16-5-6-17(21-2)19-18(16)24-12-13-25-19/h5-6,15,21H,3-4,7-14H2,1-2H3
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9.10n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327865
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-(2-fluoroe...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OCCF)c2)CC1
Show InChI InChI=1S/C19H29FN2O3/c1-2-3-9-22-10-6-15(7-11-22)14-25-19(23)16-4-5-17(21)18(13-16)24-12-8-20/h4-5,13,15H,2-3,6-12,14,21H2,1H3
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11n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327874
PNG
((1-Pentylpiperidin-4-yl)methyl 4-Amino-3-methoxybe...)
Show SMILES CCCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C19H30N2O3/c1-3-4-5-10-21-11-8-15(9-12-21)14-24-19(22)16-6-7-17(20)18(13-16)23-2/h6-7,13,15H,3-5,8-12,14,20H2,1-2H3
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12n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327864
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-(fluoromet...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OCF)c2)CC1
Show InChI InChI=1S/C18H27FN2O3/c1-2-3-8-21-9-6-14(7-10-21)12-23-18(22)15-4-5-16(20)17(11-15)24-13-19/h4-5,11,14H,2-3,6-10,12-13,20H2,1H3
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17n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327862
PNG
((1-Propylpiperidin-4-yl)methyl 4-Amino-3-methoxybe...)
Show SMILES CCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C17H26N2O3/c1-3-8-19-9-6-13(7-10-19)12-22-17(20)14-4-5-15(18)16(11-14)21-2/h4-5,11,13H,3,6-10,12,18H2,1-2H3
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17n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327859
PNG
((1-Butylpiperidin-4-yl)methyl 8-amino-7-cyano-2,3-...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(C#N)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C20H27N3O4/c1-2-3-6-23-7-4-14(5-8-23)13-27-20(24)16-11-15(12-21)17(22)19-18(16)25-9-10-26-19/h11,14H,2-10,13,22H2,1H3
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33n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327871
PNG
((1-Butylpiperidin-4-yl)methyl 7-cyano-8-(methylami...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(C#N)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C21H29N3O4/c1-3-4-7-24-8-5-15(6-9-24)14-28-21(25)17-12-16(13-22)18(23-2)20-19(17)26-10-11-27-20/h12,15,23H,3-11,14H2,1-2H3
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37n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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43n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat dopamine D4 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327872
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-2-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)cc2OC)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)16-6-5-15(19)12-17(16)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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50n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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55n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat sigma 1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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60n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat sigma 1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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66n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT2B receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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88n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic alpha1A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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168n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT2B receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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211n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat sigma 1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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220n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat dopamine D2 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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300n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT1A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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316n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat dopamine D4 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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336n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat dopamine D3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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433n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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489n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT6 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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522n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic alpha1A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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556n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic Alpha-2C receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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593n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic Alpha-2C receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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615n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat dopamine D2 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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671n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic alpha2B receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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685n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT2C receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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760n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M4 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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773n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic alpha2B receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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820n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT1B receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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823n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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972n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M5 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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972n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D5 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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989n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic Alpha-2C receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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1.01E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat dopamine D3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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1.07E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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1.10E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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1.27E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat dopamine D4 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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1.30E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT1D receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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1.65E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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1.78E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT2A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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2.02E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human DAT


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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2.24E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic alpha2A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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2.28E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic Alpha-1D receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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2.29E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat dopamine D1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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2.58E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M4 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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2.73E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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2.86E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT1D receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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2.86E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT2B receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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3.23E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human NET


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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3.51E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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4.06E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M5 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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4.23E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic Alpha-1B receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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4.41E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat adrenergic beta-1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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5.04E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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5.69E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT1D receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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5.70E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT7 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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6.27E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat dopamine D3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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8.36E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT2C receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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8.59E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT5A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327873
PNG
(4-Amino-N-((1-butylpiperidin-4-yl)methyl)-3-methox...)
Show SMILES CCCCN1CCC(CNC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H29N3O2/c1-3-4-9-21-10-7-14(8-11-21)13-20-18(22)15-5-6-16(19)17(12-15)23-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3,(H,20,22)
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8.66E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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9.01E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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9.08E+3n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic Alpha-1B receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat adrenergic beta2 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT1A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT2A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human DAT


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic Alpha-1B receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human delta opioid receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat adrenergic beta3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT1E receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT7 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic alpha2A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat adrenergic beta3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat dopamine D1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D5 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H2 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human kappa opioid receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human NET


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat dopamine D1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H2 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT1A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT6 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic Alpha-1D receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT5A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic alpha2A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human NET


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human delta opioid receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat adrenergic beta2 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Histamine H4 receptor


(GUINEA PIG)
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H4 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D5 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT7 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Histamine H4 receptor


(GUINEA PIG)
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H4 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human kappa opioid receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic alpha1A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat adrenergic beta2 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human DAT


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT2A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT5A receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human delta opioid receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat adrenergic beta-1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT1B receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT6 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M4 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M5 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human kappa opioid receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic alpha2B receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H2 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT1E receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat dopamine D2 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT1B receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT1E receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT2C receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic Alpha-1D receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat adrenergic beta-1 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat adrenergic beta3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Histamine H4 receptor


(GUINEA PIG)
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H4 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327872
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-2-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)cc2OC)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)16-6-5-15(19)12-17(16)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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n/an/an/an/a 0.178n/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Agonist activity at 5HT4 receptor expressed in HEK293/L9 cells by cAMP assay


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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n/an/an/an/a 14n/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Agonist activity at 5HT4 receptor expressed in HEK293/L9 cells by cAMP assay


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327871
PNG
((1-Butylpiperidin-4-yl)methyl 7-cyano-8-(methylami...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(C#N)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C21H29N3O4/c1-3-4-7-24-8-5-15(6-9-24)14-28-21(25)17-12-16(13-22)18(23-2)20-19(17)26-10-11-27-20/h12,15,23H,3-11,14H2,1-2H3
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n/an/an/an/a 16n/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Agonist activity at 5HT4 receptor expressed in HEK293/L9 cells by cAMP assay


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327870
PNG
((1-Butylpiperidin-4-yl)methyl 7-iodo-8-(methylamin...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(I)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29IN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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n/an/an/an/a 20n/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Agonist activity at 5HT4 receptor expressed in HEK293/L9 cells by cAMP assay


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327858
PNG
((1-Butylpiperidin-4-yl)methyl 8-amino-7-iodo-2,3-d...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(I)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27IN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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n/an/an/an/a 13n/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Agonist activity at 5HT4 receptor expressed in HEK293/L9 cells by cAMP assay


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327869
PNG
((1-Butylpiperidin-4-yl)methyl 7-bromo-8-(methylami...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Br)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29BrN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
UniProtKB/SwissProt

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PC sid
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n/an/an/an/a 10n/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Agonist activity at 5HT4 receptor expressed in HEK293/L9 cells by cAMP assay


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327867
PNG
((1-Butylpiperidin-4-yl)methyl 8-(methylamino)-2,3-...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H30N2O4/c1-3-4-9-22-10-7-15(8-11-22)14-26-20(23)16-5-6-17(21-2)19-18(16)24-12-13-25-19/h5-6,15,21H,3-4,7-14H2,1-2H3
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n/an/an/an/a 8.90n/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Agonist activity at 5HT4 receptor expressed in HEK293/L9 cells by cAMP assay


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
UniProtKB/SwissProt

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CHEMBL
PC cid
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Article
PubMed
n/an/an/an/a 5.90n/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Agonist activity at 5HT4 receptor expressed in HEK293/L9 cells by cAMP assay


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%