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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM50145587'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145587
PNG
(CHEMBL3764080)
Show SMILES O=C(NCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C20H24N4O3/c25-20(17-3-5-21-6-4-17)22-7-8-23-9-11-24(12-10-23)14-16-1-2-18-19(13-16)27-15-26-18/h1-6,13H,7-12,14-15H2,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.793n/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))
BDBM50145587
PNG
(CHEMBL3764080)
Show SMILES O=C(NCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C20H24N4O3/c25-20(17-3-5-21-6-4-17)22-7-8-23-9-11-24(12-10-23)14-16-1-2-18-19(13-16)27-15-26-18/h1-6,13H,7-12,14-15H2,(H,22,25)
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
36n/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))
BDBM50145587
PNG
(CHEMBL3764080)
Show SMILES O=C(NCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C20H24N4O3/c25-20(17-3-5-21-6-4-17)22-7-8-23-9-11-24(12-10-23)14-16-1-2-18-19(13-16)27-15-26-18/h1-6,13H,7-12,14-15H2,(H,22,25)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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