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BDBM50031369 CHEMBL3358505

SMILES: O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@H]1CCc2ccccc2N1

InChI Key: InChIKey=CLTAQMJYOUARDB-QWVACARCNA-N

Data: 5 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 5 hits for monomerid = 50031369   
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))
BDBM50031369
PNG
(CHEMBL3358505)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@H]1CCc2ccccc2N1 |r|
Show InChI InChI=1/C24H32N4O/c29-24(23-13-12-20-8-4-5-11-22(20)26-23)25-14-6-7-15-27-16-18-28(19-17-27)21-9-2-1-3-10-21/h1-5,8-11,23,26H,6-7,12-19H2,(H,25,29)/t23-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50031369
PNG
(CHEMBL3358505)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@H]1CCc2ccccc2N1 |r|
Show InChI InChI=1/C24H32N4O/c29-24(23-13-12-20-8-4-5-11-22(20)26-23)25-14-6-7-15-27-16-18-28(19-17-27)21-9-2-1-3-10-21/h1-5,8-11,23,26H,6-7,12-19H2,(H,25,29)/t23-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031369
PNG
(CHEMBL3358505)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@H]1CCc2ccccc2N1 |r|
Show InChI InChI=1/C24H32N4O/c29-24(23-13-12-20-8-4-5-11-22(20)26-23)25-14-6-7-15-27-16-18-28(19-17-27)21-9-2-1-3-10-21/h1-5,8-11,23,26H,6-7,12-19H2,(H,25,29)/t23-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
73n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50031369
PNG
(CHEMBL3358505)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@H]1CCc2ccccc2N1 |r|
Show InChI InChI=1/C24H32N4O/c29-24(23-13-12-20-8-4-5-11-22(20)26-23)25-14-6-7-15-27-16-18-28(19-17-27)21-9-2-1-3-10-21/h1-5,8-11,23,26H,6-7,12-19H2,(H,25,29)/t23-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50031369
PNG
(CHEMBL3358505)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@H]1CCc2ccccc2N1 |r|
Show InChI InChI=1/C24H32N4O/c29-24(23-13-12-20-8-4-5-11-22(20)26-23)25-14-6-7-15-27-16-18-28(19-17-27)21-9-2-1-3-10-21/h1-5,8-11,23,26H,6-7,12-19H2,(H,25,29)/t23-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair