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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 = 'BDBM50145612'   
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))
BDBM50145612
PNG
(CHEMBL3764177)
Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccncc1
Show InChI InChI=1S/C17H22N6O/c24-16(15-3-8-18-9-4-15)19-7-2-10-22-11-13-23(14-12-22)17-20-5-1-6-21-17/h1,3-6,8-9H,2,7,10-14H2,(H,19,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00985n/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))
BDBM50145612
PNG
(CHEMBL3764177)
Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccncc1
Show InChI InChI=1S/C17H22N6O/c24-16(15-3-8-18-9-4-15)19-7-2-10-22-11-13-23(14-12-22)17-20-5-1-6-21-17/h1,3-6,8-9H,2,7,10-14H2,(H,19,24)
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.20n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]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))
BDBM50145612
PNG
(CHEMBL3764177)
Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccncc1
Show InChI InChI=1S/C17H22N6O/c24-16(15-3-8-18-9-4-15)19-7-2-10-22-11-13-23(14-12-22)17-20-5-1-6-21-17/h1,3-6,8-9H,2,7,10-14H2,(H,19,24)
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