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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine receptor (H3)' and Ligand = 'BDBM50419454'   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419454
PNG
(CHEMBL1923032)
Show SMILES CCCCN=C(NCc1ccc(Cl)c(Cl)c1)SCCCc1cnc[nH]1 |w:4.3|
Show InChI InChI=1S/C18H24Cl2N4S/c1-2-3-8-22-18(25-9-4-5-15-12-21-13-24-15)23-11-14-6-7-16(19)17(20)10-14/h6-7,10,12-13H,2-5,8-9,11H2,1H3,(H,21,24)(H,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.68n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting


J Med Chem 54: 8136-47 (2011)


Article DOI: 10.1021/jm201042n
BindingDB Entry DOI: 10.7270/Q2MW2JDX
More data for this
Ligand-Target Pair