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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 348.5
BDBM247468

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))
BDBM247468
PNG
(US9453023, 27)
Show SMILES C[C@H]1CCCN1C1CC[C@@H](C1)c1ccc(NS(=O)(=O)C2CC2)cc1 |r|
Show InChI InChI=1S/C19H28N2O2S/c1-14-3-2-12-21(14)18-9-6-16(13-18)15-4-7-17(8-5-15)20-24(22,23)19-10-11-19/h4-5,7-8,14,16,18-20H,2-3,6,9-13H2,1H3/t14-,16-,18?/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
34n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


US Patent US9453023 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10MK
More data for this
Ligand-Target Pair