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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histamine H4 receptor' and Ligand = 'BDBM50315314'   
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))
BDBM50315314
PNG
(8-chloro-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d...)
Show SMILES CN1CCN(CC1)c1ncnc2c3cc(Cl)ccc3oc12
Show InChI InChI=1S/C15H15ClN4O/c1-19-4-6-20(7-5-19)15-14-13(17-9-18-15)11-8-10(16)2-3-12(11)21-14/h2-3,8-9H,4-7H2,1H3
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4.70n/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))
BDBM50315314
PNG
(8-chloro-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d...)
Show SMILES CN1CCN(CC1)c1ncnc2c3cc(Cl)ccc3oc12
Show InChI InChI=1S/C15H15ClN4O/c1-19-4-6-20(7-5-19)15-14-13(17-9-18-15)11-8-10(16)2-3-12(11)21-14/h2-3,8-9H,4-7H2,1H3
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5n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315314
PNG
(8-chloro-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d...)
Show SMILES CN1CCN(CC1)c1ncnc2c3cc(Cl)ccc3oc12
Show InChI InChI=1S/C15H15ClN4O/c1-19-4-6-20(7-5-19)15-14-13(17-9-18-15)11-8-10(16)2-3-12(11)21-14/h2-3,8-9H,4-7H2,1H3
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19n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315314
PNG
(8-chloro-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d...)
Show SMILES CN1CCN(CC1)c1ncnc2c3cc(Cl)ccc3oc12
Show InChI InChI=1S/C15H15ClN4O/c1-19-4-6-20(7-5-19)15-14-13(17-9-18-15)11-8-10(16)2-3-12(11)21-14/h2-3,8-9H,4-7H2,1H3
PDB

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n/an/a 19n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
More data for this
Ligand-Target Pair