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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 = 'BDBM50132084'   
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))
BDBM50132084
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-6-methoxy-5-methyl...)
Show SMILES COc1cccc2c3CN(CCCOc4ccc(F)cc4)CCc3n(C)c12
Show InChI InChI=1S/C22H25FN2O2/c1-24-20-11-13-25(12-4-14-27-17-9-7-16(23)8-10-17)15-19(20)18-5-3-6-21(26-2)22(18)24/h3,5-10H,4,11-15H2,1-2H3
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
120n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50132084
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-6-methoxy-5-methyl...)
Show SMILES COc1cccc2c3CN(CCCOc4ccc(F)cc4)CCc3n(C)c12
Show InChI InChI=1S/C22H25FN2O2/c1-24-20-11-13-25(12-4-14-27-17-9-7-16(23)8-10-17)15-19(20)18-5-3-6-21(26-2)22(18)24/h3,5-10H,4,11-15H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair