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BDBM50395206 CHEMBL2164354

SMILES: O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1

InChI Key: InChIKey=YUOLKUGHNOWKJF-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50395206   
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


(Homo sapiens (Human))
BDBM50395206
PNG
(CHEMBL2164354)
Show SMILES O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
Show InChI InChI=1S/C25H31N3O/c29-25(23-11-5-2-6-12-23)28(24-13-7-8-16-26-24)20-19-27-17-14-22(15-18-27)21-9-3-1-4-10-21/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12,15,17-20H2
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0.510n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 22: 4550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.119
BindingDB Entry DOI: 10.7270/Q2HH6M6V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50395206
PNG
(CHEMBL2164354)
Show SMILES O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
Show InChI InChI=1S/C25H31N3O/c29-25(23-11-5-2-6-12-23)28(24-13-7-8-16-26-24)20-19-27-17-14-22(15-18-27)21-9-3-1-4-10-21/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12,15,17-20H2
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0.690n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor by radioligand binding assay


Bioorg Med Chem Lett 22: 4550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.119
BindingDB Entry DOI: 10.7270/Q2HH6M6V
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50395206
PNG
(CHEMBL2164354)
Show SMILES O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
Show InChI InChI=1S/C25H31N3O/c29-25(23-11-5-2-6-12-23)28(24-13-7-8-16-26-24)20-19-27-17-14-22(15-18-27)21-9-3-1-4-10-21/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12,15,17-20H2
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39n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor by radioligand binding assay


Bioorg Med Chem Lett 22: 4550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.119
BindingDB Entry DOI: 10.7270/Q2HH6M6V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50395206
PNG
(CHEMBL2164354)
Show SMILES O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
Show InChI InChI=1S/C25H31N3O/c29-25(23-11-5-2-6-12-23)28(24-13-7-8-16-26-24)20-19-27-17-14-22(15-18-27)21-9-3-1-4-10-21/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12,15,17-20H2
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54n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor by radioligand binding assay


Bioorg Med Chem Lett 22: 4550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.119
BindingDB Entry DOI: 10.7270/Q2HH6M6V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50395206
PNG
(CHEMBL2164354)
Show SMILES O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
Show InChI InChI=1S/C25H31N3O/c29-25(23-11-5-2-6-12-23)28(24-13-7-8-16-26-24)20-19-27-17-14-22(15-18-27)21-9-3-1-4-10-21/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12,15,17-20H2
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55n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor by radioligand binding assay


Bioorg Med Chem Lett 22: 4550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.119
BindingDB Entry DOI: 10.7270/Q2HH6M6V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395206
PNG
(CHEMBL2164354)
Show SMILES O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
Show InChI InChI=1S/C25H31N3O/c29-25(23-11-5-2-6-12-23)28(24-13-7-8-16-26-24)20-19-27-17-14-22(15-18-27)21-9-3-1-4-10-21/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12,15,17-20H2
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60n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Binding affinity to 5HT7 receptor by radioligand binding assay


Bioorg Med Chem Lett 22: 4550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.119
BindingDB Entry DOI: 10.7270/Q2HH6M6V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50395206
PNG
(CHEMBL2164354)
Show SMILES O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
Show InChI InChI=1S/C25H31N3O/c29-25(23-11-5-2-6-12-23)28(24-13-7-8-16-26-24)20-19-27-17-14-22(15-18-27)21-9-3-1-4-10-21/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12,15,17-20H2
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105n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor by radioligand binding assay


Bioorg Med Chem Lett 22: 4550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.119
BindingDB Entry DOI: 10.7270/Q2HH6M6V
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50395206
PNG
(CHEMBL2164354)
Show SMILES O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
Show InChI InChI=1S/C25H31N3O/c29-25(23-11-5-2-6-12-23)28(24-13-7-8-16-26-24)20-19-27-17-14-22(15-18-27)21-9-3-1-4-10-21/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12,15,17-20H2
UniProtKB/SwissProt

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296n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1B receptor by radioligand binding assay


Bioorg Med Chem Lett 22: 4550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.119
BindingDB Entry DOI: 10.7270/Q2HH6M6V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50395206
PNG
(CHEMBL2164354)
Show SMILES O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
Show InChI InChI=1S/C25H31N3O/c29-25(23-11-5-2-6-12-23)28(24-13-7-8-16-26-24)20-19-27-17-14-22(15-18-27)21-9-3-1-4-10-21/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12,15,17-20H2
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385n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 from human cloned D4 receptor expressed in Sf9 cells after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 22: 4550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.119
BindingDB Entry DOI: 10.7270/Q2HH6M6V
More data for this
Ligand-Target Pair