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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 = 'BDBM22561'   
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))
BDBM22561
PNG
(2-arylbenzimidazole derivative, 7 | 5-tert-butyl-2...)
Show SMILES CN1CCN(CCCOc2ccc(cc2Cl)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
Show InChI InChI=1S/C25H33ClN4O/c1-25(2,3)19-7-8-21-22(17-19)28-24(27-21)18-6-9-23(20(26)16-18)31-15-5-10-30-13-11-29(4)12-14-30/h6-9,16-17H,5,10-15H2,1-4H3,(H,27,28)
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Article
PubMed
65n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor


Bioorg Med Chem Lett 20: 3367-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.017
BindingDB Entry DOI: 10.7270/Q23J3D4Z
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22561
PNG
(2-arylbenzimidazole derivative, 7 | 5-tert-butyl-2...)
Show SMILES CN1CCN(CCCOc2ccc(cc2Cl)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
Show InChI InChI=1S/C25H33ClN4O/c1-25(2,3)19-7-8-21-22(17-19)28-24(27-21)18-6-9-23(20(26)16-18)31-15-5-10-30-13-11-29(4)12-14-30/h6-9,16-17H,5,10-15H2,1-4H3,(H,27,28)
PDB

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antibodypedia
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
65 -41.0n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair