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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM50359958'   
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))
BDBM50359958
PNG
(CHEMBL1927092)
Show SMILES Cc1cccc(N2CCN(CCCN=C(NC#N)c3ccccn3)CC2)c1C
Show InChI InChI=1S/C22H28N6/c1-18-7-5-9-21(19(18)2)28-15-13-27(14-16-28)12-6-11-25-22(26-17-23)20-8-3-4-10-24-20/h3-5,7-10H,6,11-16H2,1-2H3,(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.867n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


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


Eur J Med Chem 47: 520-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359958
PNG
(CHEMBL1927092)
Show SMILES Cc1cccc(N2CCN(CCCN=C(NC#N)c3ccccn3)CC2)c1C
Show InChI InChI=1S/C22H28N6/c1-18-7-5-9-21(19(18)2)28-15-13-27(14-16-28)12-6-11-25-22(26-17-23)20-8-3-4-10-24-20/h3-5,7-10H,6,11-16H2,1-2H3,(H,25,26)
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


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


Eur J Med Chem 47: 520-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN
More data for this
Ligand-Target Pair