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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 = 'BDBM50419329'   
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))
BDBM50419329
PNG
(CHEMBL1910378)
Show SMILES COc1ccc(CN(CCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)c2ccccn2)cc1
Show InChI InChI=1S/C28H31N5O2/c1-35-24-11-9-22(10-12-24)21-33(27-8-4-5-13-29-27)19-16-31-14-17-32(18-15-31)28(34)26-20-23-6-2-3-7-25(23)30-26/h2-13,20,30H,14-19,21H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
5.89E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R expressed in Sf9 cells co-expressing RGS19, Galphai2 and Gbeta1gamma2 after 60 mins by liquid scintillat...


Bioorg Med Chem Lett 21: 6274-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.001
BindingDB Entry DOI: 10.7270/Q28K7BB7
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50419329
PNG
(CHEMBL1910378)
Show SMILES COc1ccc(CN(CCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)c2ccccn2)cc1
Show InChI InChI=1S/C28H31N5O2/c1-35-24-11-9-22(10-12-24)21-33(27-8-4-5-13-29-27)19-16-31-14-17-32(18-15-31)28(34)26-20-23-6-2-3-7-25(23)30-26/h2-13,20,30H,14-19,21H2,1H3
PDB

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.05E+5n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Partial agonist activity at human H4R expressed in Sf9 cells co-expressing RGS19, Galphai2 and Gbeta1gamma2 assessed as stimulation of [35S]GTPgammaS...


Bioorg Med Chem Lett 21: 6274-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.001
BindingDB Entry DOI: 10.7270/Q28K7BB7
More data for this
Ligand-Target Pair