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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 = 'BDBM50238768'   
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))
BDBM50238768
PNG
(CHEMBL4073406)
Show SMILES Cl.COc1ccc(F)cc1[C@@H]1C[C@H]1CNCc1ccccc1F |r|
Show InChI InChI=1S/C18H19F2NO.ClH/c1-22-18-7-6-14(19)9-16(18)15-8-13(15)11-21-10-12-4-2-3-5-17(12)20;/h2-7,9,13,15,21H,8,10-11H2,1H3;1H/t13-,15+;/m0./s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.88E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by ...


J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50238768
PNG
(CHEMBL4073406)
Show SMILES Cl.COc1ccc(F)cc1[C@@H]1C[C@H]1CNCc1ccccc1F |r|
Show InChI InChI=1S/C18H19F2NO.ClH/c1-22-18-7-6-14(19)9-16(18)15-8-13(15)11-21-10-12-4-2-3-5-17(12)20;/h2-7,9,13,15,21H,8,10-11H2,1H3;1H/t13-,15+;/m0./s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.86E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by ...


J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair