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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 = 'BDBM50417379'   
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))
BDBM50417379
PNG
(CHEMBL1277217)
Show SMILES OC(=O)C1(F)CCN(CC1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21
Show InChI InChI=1S/C24H26FNO3/c25-24(22(27)28)11-13-26(14-12-24)18-9-10-23(16-18)15-17-5-1-3-7-20(17)29-21-8-4-2-6-19(21)23/h1-8,18H,9-16H2,(H,27,28)
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Similars

Article
PubMed
158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay


J Med Chem 53: 7778-95 (2010)


Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
More data for this
Ligand-Target Pair