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BDBM50327861 (1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxybenzoate::CHEMBL1258452

SMILES: CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1

InChI Key: InChIKey=DZZIAERGLDKTBT-UHFFFAOYSA-N

Data: 43 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50327861   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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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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
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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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 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
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
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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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 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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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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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))
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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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
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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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))
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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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))
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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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
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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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
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
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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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
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 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
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
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
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
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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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