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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Histamine H4 receptor' and Ligand = 'BDBM50179335'   
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))
BDBM50179335
PNG
((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
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PubMed
20n/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))
BDBM50179335
PNG
((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
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26n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179335
PNG
((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
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26n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179335
PNG
((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
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26n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membranes


Bioorg Med Chem Lett 22: 461-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.104
BindingDB Entry DOI: 10.7270/Q2D79BT2
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179335
PNG
((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
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39.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor expressed in HEK293 cells assessed as rev inhibition of forskolin-stimulated cAMP accumulation by ...


Bioorg Med Chem Lett 22: 1156-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.098
BindingDB Entry DOI: 10.7270/Q2Q81DJD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179335
PNG
((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
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39.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor by functional assay


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179335
PNG
((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
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47.7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in CHO cells coexpressing Ga15 by radioligand filtration binding...


Bioorg Med Chem Lett 22: 1156-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.098
BindingDB Entry DOI: 10.7270/Q2Q81DJD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179335
PNG
((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
PDB

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47.7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair