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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H4 receptor' and Ligand = 'BDBM189354'   
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 H4 receptor


(Homo sapiens (Human))
BDBM189354
PNG
(4-((4-Chlorophenoxy)methyl)-6-(4-methylpiperazin-1...)
Show SMILES CN1CCN(CC1)c1nc(N)nc(COc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H19ClN6O/c1-21-6-8-22(9-7-21)15-19-13(18-14(17)20-15)10-23-12-4-2-11(16)3-5-12/h2-5H,6-10H2,1H3,(H2,17,18,19,20)
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PC cid
PC sid
UniChem
Article
PubMed
1.06E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R expressed in Sf9 cell membranes co-expressed with G protein Gai2 and Gb1gamma2 incubated for 60 mins by ...


Eur J Med Chem 142: 523-549 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.035
BindingDB Entry DOI: 10.7270/Q2HH6NRF
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM189354
PNG
(4-((4-Chlorophenoxy)methyl)-6-(4-methylpiperazin-1...)
Show SMILES CN1CCN(CC1)c1nc(N)nc(COc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H19ClN6O/c1-21-6-8-22(9-7-21)15-19-13(18-14(17)20-15)10-23-12-4-2-11(16)3-5-12/h2-5H,6-10H2,1H3,(H2,17,18,19,20)
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
1.06E+4 -26.4n/an/an/an/an/a7.44



Jagiellonian University Medical College



Assay Description
Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 °C and 16 0009x g and resuspended in binding buffer (12...


Chem Biol Drug Des 88: 254-63 (2016)


Article DOI: 10.1111/cbdd.12752
BindingDB Entry DOI: 10.7270/Q21R6P93
More data for this
Ligand-Target Pair