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BDBM22562 2-arylbenzimidazole derivative, 8::5-tert-butyl-2-{3-methyl-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1H-1,3-benzodiazole

SMILES: CN1CCN(CCCOc2ccc(cc2C)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1

InChI Key: InChIKey=BUXJCSKEQCGFQR-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22562   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22562
PNG
(2-arylbenzimidazole derivative, 8 | 5-tert-butyl-2...)
Show SMILES CN1CCN(CCCOc2ccc(cc2C)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
Show InChI InChI=1S/C26H36N4O/c1-19-17-20(25-27-22-9-8-21(26(2,3)4)18-23(22)28-25)7-10-24(19)31-16-6-11-30-14-12-29(5)13-15-30/h7-10,17-18H,6,11-16H2,1-5H3,(H,27,28)
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Article
PubMed
26 -10.3n/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