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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50155520'   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50155520
PNG
(4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O/c21-17-5-9-19(10-6-17)24-14-12-23(13-15-24)11-1-2-20(25)16-3-7-18(22)8-4-16/h3-10H,1-2,11-15H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5HT2A receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
BDBM50155520
PNG
(4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O/c21-17-5-9-19(10-6-17)24-14-12-23(13-15-24)11-1-2-20(25)16-3-7-18(22)8-4-16/h3-10H,1-2,11-15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
440n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair