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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 470.6
BDBM50434384

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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


(Macaca mulatta (Rhesus macaque))
BDBM50434384
PNG
(CHEMBL2387293)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C
Show InChI InChI=1S/C29H34N4O2/c1-21-19-24(12-15-28(21)32-18-16-25(20-32)33-17-6-7-22(33)2)31-29(34)30-23-10-13-27(14-11-23)35-26-8-4-3-5-9-26/h3-5,8-15,19,22,25H,6-7,16-18,20H2,1-2H3,(H2,30,31,34)
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
115n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair