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BDBM50145613 CHEMBL3764390

SMILES: O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1

InChI Key: InChIKey=GQPZNEKXJZVZFM-UHFFFAOYSA-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 = 50145613   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145613
PNG
(CHEMBL3764390)
Show SMILES O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C21H26N4O3/c26-21(18-4-7-22-8-5-18)23-6-1-9-24-10-12-25(13-11-24)15-17-2-3-19-20(14-17)28-16-27-19/h2-5,7-8,14H,1,6,9-13,15-16H2,(H,23,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0113n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145613
PNG
(CHEMBL3764390)
Show SMILES O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C21H26N4O3/c26-21(18-4-7-22-8-5-18)23-6-1-9-24-10-12-25(13-11-24)15-17-2-3-19-20(14-17)28-16-27-19/h2-5,7-8,14H,1,6,9-13,15-16H2,(H,23,26)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50145613
PNG
(CHEMBL3764390)
Show SMILES O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C21H26N4O3/c26-21(18-4-7-22-8-5-18)23-6-1-9-24-10-12-25(13-11-24)15-17-2-3-19-20(14-17)28-16-27-19/h2-5,7-8,14H,1,6,9-13,15-16H2,(H,23,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
127n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50145613
PNG
(CHEMBL3764390)
Show SMILES O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C21H26N4O3/c26-21(18-4-7-22-8-5-18)23-6-1-9-24-10-12-25(13-11-24)15-17-2-3-19-20(14-17)28-16-27-19/h2-5,7-8,14H,1,6,9-13,15-16H2,(H,23,26)
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145613
PNG
(CHEMBL3764390)
Show SMILES O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C21H26N4O3/c26-21(18-4-7-22-8-5-18)23-6-1-9-24-10-12-25(13-11-24)15-17-2-3-19-20(14-17)28-16-27-19/h2-5,7-8,14H,1,6,9-13,15-16H2,(H,23,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair