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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50443217'   
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 H3 receptor


(Rattus norvegicus (rat))
BDBM50443217
PNG
(CHEMBL3087669)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2c(C)noc2C)c(C)c1 |r|
Show InChI InChI=1S/C22H30N4O2/c1-14-12-18(25-11-9-19(13-25)26-10-5-6-15(26)2)7-8-20(14)23-22(27)21-16(3)24-28-17(21)4/h7-8,12,15,19H,5-6,9-11,13H2,1-4H3,(H,23,27)/t15-,19-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]-methylhistamine from rat histamine H3 receptor (445 amino acid residues) transfected in human 293 cells after 1 hr by scintillat...


Bioorg Med Chem Lett 23: 6269-73 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.081
BindingDB Entry DOI: 10.7270/Q27D2WK2
More data for this
Ligand-Target Pair