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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50402815'   
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 H1 receptor


(Homo sapiens (Human))
BDBM50402815
PNG
(CHEMBL2208436)
Show SMILES O[C@@H](CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)COc1cccc(c1)C#N |r|
Show InChI InChI=1S/C22H25Cl2N3O2/c23-21-5-4-17(11-22(21)24)14-27-8-6-18(7-9-27)26-13-19(28)15-29-20-3-1-2-16(10-20)12-25/h1-5,10-11,18-19,26,28H,6-9,13-15H2/t19-/m0/s1
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Similars

Article
PubMed
501n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human histamine H1 receptor expressed in recombinant CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7702-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.113
BindingDB Entry DOI: 10.7270/Q2CJ8FNG
More data for this
Ligand-Target Pair