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BDBM50419443 CHEMBL1196470

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#16]-[#6](-[#7])=[#7]

InChI Key: InChIKey=GSYGTVNTZHFQQH-UHFFFAOYSA-N

Data: 4 KI  5 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50419443   
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))
BDBM50419443
PNG
(CHEMBL1196470)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#16]-[#6](-[#7])=[#7]
Show InChI InChI=1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)
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31.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting


J Med Chem 54: 8136-47 (2011)


Article DOI: 10.1021/jm201042n
BindingDB Entry DOI: 10.7270/Q2MW2JDX
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50419443
PNG
(CHEMBL1196470)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#16]-[#6](-[#7])=[#7]
Show InChI InChI=1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)
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32n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19, Galphai2, Gbeta1gamma2


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50419443
PNG
(CHEMBL1196470)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#16]-[#6](-[#7])=[#7]
Show InChI InChI=1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)
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316n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting


J Med Chem 54: 8136-47 (2011)


Article DOI: 10.1021/jm201042n
BindingDB Entry DOI: 10.7270/Q2MW2JDX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50419443
PNG
(CHEMBL1196470)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#16]-[#6](-[#7])=[#7]
Show InChI InChI=1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)
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UniChem
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1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Mus musculus (mouse))
BDBM50419443
PNG
(CHEMBL1196470)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#16]-[#6](-[#7])=[#7]
Show InChI InChI=1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)
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n/an/an/an/a 8.71E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at mouse H4R by [35S]-GTPgammaS-binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50419443
PNG
(CHEMBL1196470)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#16]-[#6](-[#7])=[#7]
Show InChI InChI=1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)
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n/an/an/an/a 316n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Rattus norvegicus (rat))
BDBM50419443
PNG
(CHEMBL1196470)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#16]-[#6](-[#7])=[#7]
Show InChI InChI=1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)
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n/an/an/an/a 3.39E+4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at rat H4R by [35S]-GTPgammaS-binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50419443
PNG
(CHEMBL1196470)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#16]-[#6](-[#7])=[#7]
Show InChI InChI=1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)
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n/an/an/an/a 38n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H4R by [35S]-GTPgammaS-binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50419443
PNG
(CHEMBL1196470)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#16]-[#6](-[#7])=[#7]
Show InChI InChI=1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)
Reactome pathway
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UniChem
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n/an/an/an/a 50n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair