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BDBM50145595 CHEMBL3765470

SMILES: COc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1

InChI Key: InChIKey=QCYAVOCONNKJOU-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50145595   
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))
BDBM50145595
PNG
(CHEMBL3765470)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C20H26N4O2/c1-26-19-6-3-2-5-18(19)24-15-13-23(14-16-24)12-4-9-22-20(25)17-7-10-21-11-8-17/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.254n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145595
PNG
(CHEMBL3765470)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C20H26N4O2/c1-26-19-6-3-2-5-18(19)24-15-13-23(14-16-24)12-4-9-22-20(25)17-7-10-21-11-8-17/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,22,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/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))
BDBM50145595
PNG
(CHEMBL3765470)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C20H26N4O2/c1-26-19-6-3-2-5-18(19)24-15-13-23(14-16-24)12-4-9-22-20(25)17-7-10-21-11-8-17/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,22,25)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
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]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