BindingDB logo
myBDB logout

BDBM50395207 CHEMBL2164350

SMILES: O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1

InChI Key: InChIKey=QJFWBEXGRNKZIY-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 = 50395207   
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))
BDBM50395207
PNG
(CHEMBL2164350)
Show SMILES O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C24H32N4O/c29-24(21-9-3-1-4-10-21)28(23-13-7-8-14-25-23)20-17-26-15-18-27(19-16-26)22-11-5-2-6-12-22/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.21n/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))
BDBM50395207
PNG
(CHEMBL2164350)
Show SMILES O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C24H32N4O/c29-24(21-9-3-1-4-10-21)28(23-13-7-8-14-25-23)20-17-26-15-18-27(19-16-26)22-11-5-2-6-12-22/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.85n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50395207
PNG
(CHEMBL2164350)
Show SMILES O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C24H32N4O/c29-24(21-9-3-1-4-10-21)28(23-13-7-8-14-25-23)20-17-26-15-18-27(19-16-26)22-11-5-2-6-12-22/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
180n/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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395207
PNG
(CHEMBL2164350)
Show SMILES O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C24H32N4O/c29-24(21-9-3-1-4-10-21)28(23-13-7-8-14-25-23)20-17-26-15-18-27(19-16-26)22-11-5-2-6-12-22/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
198n/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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50395207
PNG
(CHEMBL2164350)
Show SMILES O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C24H32N4O/c29-24(21-9-3-1-4-10-21)28(23-13-7-8-14-25-23)20-17-26-15-18-27(19-16-26)22-11-5-2-6-12-22/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
246n/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 2B


(Homo sapiens (Human))
BDBM50395207
PNG
(CHEMBL2164350)
Show SMILES O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C24H32N4O/c29-24(21-9-3-1-4-10-21)28(23-13-7-8-14-25-23)20-17-26-15-18-27(19-16-26)22-11-5-2-6-12-22/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
327n/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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50395207
PNG
(CHEMBL2164350)
Show SMILES O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C24H32N4O/c29-24(21-9-3-1-4-10-21)28(23-13-7-8-14-25-23)20-17-26-15-18-27(19-16-26)22-11-5-2-6-12-22/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
584n/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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50395207
PNG
(CHEMBL2164350)
Show SMILES O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C24H32N4O/c29-24(21-9-3-1-4-10-21)28(23-13-7-8-14-25-23)20-17-26-15-18-27(19-16-26)22-11-5-2-6-12-22/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
946n/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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50395207
PNG
(CHEMBL2164350)
Show SMILES O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C24H32N4O/c29-24(21-9-3-1-4-10-21)28(23-13-7-8-14-25-23)20-17-26-15-18-27(19-16-26)22-11-5-2-6-12-22/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.05E+3n/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