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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 = 'BDBM22565'   
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))
BDBM22565
PNG
(2-arylbenzimidazole lead compound 1 | 5-chloro-2-{...)
Show SMILES CN1CCN(CCCOc2ccc(cc2)-c2nc3ccc(Cl)cc3[nH]2)CC1
Show InChI InChI=1S/C21H25ClN4O/c1-25-10-12-26(13-11-25)9-2-14-27-18-6-3-16(4-7-18)21-23-19-8-5-17(22)15-20(19)24-21/h3-8,15H,2,9-14H2,1H3,(H,23,24)
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Article
PubMed
120n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 6577-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.014
BindingDB Entry DOI: 10.7270/Q2CN749X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22565
PNG
(2-arylbenzimidazole lead compound 1 | 5-chloro-2-{...)
Show SMILES CN1CCN(CCCOc2ccc(cc2)-c2nc3ccc(Cl)cc3[nH]2)CC1
Show InChI InChI=1S/C21H25ClN4O/c1-25-10-12-26(13-11-25)9-2-14-27-18-6-3-16(4-7-18)21-23-19-8-5-17(22)15-20(19)24-21/h3-8,15H,2,9-14H2,1H3,(H,23,24)
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PC sid
UniChem

Patents


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Article
PubMed
124 -39.4n/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