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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 = 'BDBM50011175'   
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))
BDBM50011175
PNG
(CHEMBL3260313)
Show SMILES CN1CCN(CC1)c1cccc2cc(cnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C20H20FN3O2S/c1-23-8-10-24(11-9-23)19-7-2-4-15-12-18(14-22-20(15)19)27(25,26)17-6-3-5-16(21)13-17/h2-7,12-14H,8-11H2,1H3
PDB
MMDB

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CHEMBL
MCE
PC cid
PC sid
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Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00633
BindingDB Entry DOI: 10.7270/Q26M3BS8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50011175
PNG
(CHEMBL3260313)
Show SMILES CN1CCN(CC1)c1cccc2cc(cnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C20H20FN3O2S/c1-23-8-10-24(11-9-23)19-7-2-4-15-12-18(14-22-20(15)19)27(25,26)17-6-3-5-16(21)13-17/h2-7,12-14H,8-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.390n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-R-O-DOI from human 5-HT2A receptor expressed in CHO-K1 cells by by liquid scintillation spectrometry


ACS Med Chem Lett 5: 275-6 (2014)


Article DOI: 10.1021/ml500045k
BindingDB Entry DOI: 10.7270/Q29P335X
More data for this
Ligand-Target Pair