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BDBM82368 CAS_121851::CHEMBL11592::CHEMBL301060::NSC_121851::S 20499

SMILES: CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1

InChI Key: InChIKey=DLLULNTXJPATBC-UHFFFAOYSA-N

Data: 1 KI  30 IC50

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 31 hits for monomerid = 82368   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



INSERM U.288

Curated by PDSP Ki Database




Neuropsychopharmacology 3: 349-60


BindingDB Entry DOI: 10.7270/Q2N29VFS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 0n/an/an/an/an/an/a


TBA

Assay Description
The compound was evaluated for its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in cellular brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A (5-HT1A) receptor in rat hippocampus membranes


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D1 in calf striatum


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1B receptor in rat cortex, striatum and globus pallidus


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against D2 receptor in calf caudate nucleus


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Displacement of [3H]-SDZ-205-501 from Dopamine receptor D2 in calf caudate nucleus.


J Med Chem 39: 4285-98 (1996)


Article DOI: 10.1021/jm950861w
BindingDB Entry DOI: 10.7270/Q2XP741N
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampus membranes,3H-8-OH-DPAT and buspirone for nonspecific binding (NSB)


J Med Chem 39: 4285-98 (1996)


Article DOI: 10.1021/jm950861w
BindingDB Entry DOI: 10.7270/Q2XP741N
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1B receptors using rat cortex+striatum + globus pallidus,[3H]-5-OH-tryptamine, and serotonin for NSB


J Med Chem 39: 4285-98 (1996)


Article DOI: 10.1021/jm950861w
BindingDB Entry DOI: 10.7270/Q2XP741N
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D1 of calf striatum


J Med Chem 39: 4285-98 (1996)


Article DOI: 10.1021/jm950861w
BindingDB Entry DOI: 10.7270/Q2XP741N
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampus membranes,3H-8-OH-DPAT and buspirone for nonspecific binding (NSB)


J Med Chem 39: 4285-98 (1996)


Article DOI: 10.1021/jm950861w
BindingDB Entry DOI: 10.7270/Q2XP741N
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Displacement of [3H]-SDZ-205-501 from Dopamine receptor D2 in calf caudate nucleus.


J Med Chem 39: 4285-98 (1996)


Article DOI: 10.1021/jm950861w
BindingDB Entry DOI: 10.7270/Q2XP741N
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D1 of calf striatum


J Med Chem 39: 4285-98 (1996)


Article DOI: 10.1021/jm950861w
BindingDB Entry DOI: 10.7270/Q2XP741N
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1B receptors using rat cortex+striatum + globus pallidus,[3H]-5-OH-tryptamine, and serotonin for NSB


J Med Chem 39: 4285-98 (1996)


Article DOI: 10.1021/jm950861w
BindingDB Entry DOI: 10.7270/Q2XP741N
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D1 in calf striatum


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1B receptor in rat cortex, striatum and globus pallidus


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A (5-HT1A) receptor in rat hippocampus membranes


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against D2 receptor in calf caudate nucleus


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor by displacement of [3H]ketanserin


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-Raclopride.


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by displacement of [3H]8-OH-DPAT.


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
PDB

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Article
n/an/a 5.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor by displacement of [3H]5-HT.


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 3.98E+4n/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for the Dopamine receptor D1 by displacement of [3H]SCH-23390.


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 0.00000500n/an/an/an/an/an/a


TBA

Assay Description
The compound was evaluated for its ability to displace [3H]5-HT from 5-hydroxytryptamine 1B receptor in cellular brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (human))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
MMDB

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n/an/a 0n/an/an/an/an/an/a


TBA

Assay Description
The compound was evaluated for its ability to displace [3H]ketanserin from 5-hydroxytryptamine 2 receptor in cellular brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair