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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2B' and Ligand = 'BDBM50238751'   
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 2B


(Homo sapiens (Human))
BDBM50238751
PNG
(CHEMBL4094164)
Show SMILES COc1ccc(F)cc1C1CC1CNCc1cccnc1OC
Show InChI InChI=1S/C18H21FN2O2/c1-22-17-6-5-14(19)9-16(17)15-8-13(15)11-20-10-12-4-3-7-21-18(12)23-2/h3-7,9,13,15,20H,8,10-11H2,1-2H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 275n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2B 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 2B


(Homo sapiens (Human))
BDBM50238751
PNG
(CHEMBL4094164)
Show SMILES COc1ccc(F)cc1C1CC1CNCc1cccnc1OC
Show InChI InChI=1S/C18H21FN2O2/c1-22-17-6-5-14(19)9-16(17)15-8-13(15)11-20-10-12-4-3-7-21-18(12)23-2/h3-7,9,13,15,20H,8,10-11H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 274n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2B 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