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4 similar compounds to monomer 22564

Compile data set for download or QSAR
Wt: 412.9
BDBM22555
Wt: 412.9
BDBM22556
Wt: 441.0
BDBM22557
Wt: 426.9
BDBM22563

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 22555,22556,22557,22563   
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))
BDBM22563
PNG
(2-arylbenzimidazole derivative, 9 | 2-{2-chloro-4-...)
Show SMILES CN1CCCN(CCCOc2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C24H31ClN4O/c1-17-6-9-22-23(18(17)2)27-24(26-22)20-8-7-19(16-21(20)25)30-15-5-12-29-11-4-10-28(3)13-14-29/h6-9,16H,4-5,10-15H2,1-3H3,(H,26,27)
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Article
PubMed
9 -11.0n/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
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22556
PNG
(2-arylbenzimidazole derivative, 2 | 2-{2-chloro-4-...)
Show SMILES CN1CCN(CCCOc2ccc(-c3nc4c(C)cc(C)cc4[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C23H29ClN4O/c1-16-13-17(2)22-21(14-16)25-23(26-22)19-6-5-18(15-20(19)24)29-12-4-7-28-10-8-27(3)9-11-28/h5-6,13-15H,4,7-12H2,1-3H3,(H,25,26)
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Article
PubMed
22 -10.4n/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
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22555
PNG
(2-arylbenzimidazole derivative, 1 | 2-{2-chloro-4-...)
Show SMILES CN1CCN(CCCOc2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C23H29ClN4O/c1-16-5-8-21-22(17(16)2)26-23(25-21)19-7-6-18(15-20(19)24)29-14-4-9-28-12-10-27(3)11-13-28/h5-8,15H,4,9-14H2,1-3H3,(H,25,26)
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PC cid
PC sid
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Article
PubMed
46 -10.0n/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
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22557
PNG
(2-arylbenzimidazole derivative, 3 | 5-tert-butyl-2...)
Show SMILES CN1CCN(CCCOc2ccc(-c3nc4ccc(cc4[nH]3)C(C)(C)C)c(Cl)c2)CC1
Show InChI InChI=1S/C25H33ClN4O/c1-25(2,3)18-6-9-22-23(16-18)28-24(27-22)20-8-7-19(17-21(20)26)31-15-5-10-30-13-11-29(4)12-14-30/h6-9,16-17H,5,10-15H2,1-4H3,(H,27,28)
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
93 -9.59n/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