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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 = 'BDBM50165203'   
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))
BDBM50165203
PNG
(CHEMBL3617113)
Show SMILES Fc1ccc(NC(=S)Nc2cccc(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C14H9ClF4N2S/c15-11-7-10(4-5-12(11)16)21-13(22)20-9-3-1-2-8(6-9)14(17,18)19/h1-7H,(H2,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0430n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


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


Eur J Med Chem 116: 173-186 (2016)


BindingDB Entry DOI: 10.7270/Q22B90X6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50165203
PNG
(CHEMBL3617113)
Show SMILES Fc1ccc(NC(=S)Nc2cccc(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C14H9ClF4N2S/c15-11-7-10(4-5-12(11)16)21-13(22)20-9-3-1-2-8(6-9)14(17,18)19/h1-7H,(H2,20,21,22)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


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


Eur J Med Chem 116: 173-186 (2016)


BindingDB Entry DOI: 10.7270/Q22B90X6
More data for this
Ligand-Target Pair