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PubMed code 27692832

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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1.60n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Binding affinity to histamine H4 receptor (unknown origin)


Bioorg Med Chem Lett 26: 5263-5266 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.049
BindingDB Entry DOI: 10.7270/Q2Q52RMS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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13n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor (unknown origin)


Bioorg Med Chem Lett 26: 5263-5266 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.049
BindingDB Entry DOI: 10.7270/Q2Q52RMS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50198913
PNG
(CHEMBL1179089)
Show SMILES C(COC(c1ccccc1)c1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C19H20N2O/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)22-13-7-12-18-14-20-15-21-18/h1-6,8-11,14-15,19H,7,12-13H2,(H,20,21)
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17n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human H3 receptor expressed in HEK293 cell membranes after 1 hr


Bioorg Med Chem Lett 26: 5263-5266 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.049
BindingDB Entry DOI: 10.7270/Q2Q52RMS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50198913
PNG
(CHEMBL1179089)
Show SMILES C(COC(c1ccccc1)c1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C19H20N2O/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)22-13-7-12-18-14-20-15-21-18/h1-6,8-11,14-15,19H,7,12-13H2,(H,20,21)
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17n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 26: 5263-5266 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.049
BindingDB Entry DOI: 10.7270/Q2Q52RMS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50198914
PNG
(CHEMBL3911109)
Show SMILES C(COC(c1nc2ccccc2s1)c1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C20H19N3OS/c1-2-7-15(8-3-1)19(24-12-6-9-16-13-21-14-22-16)20-23-17-10-4-5-11-18(17)25-20/h1-5,7-8,10-11,13-14,19H,6,9,12H2,(H,21,22)
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34n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human H3 receptor expressed in HEK293 cell membranes after 1 hr


Bioorg Med Chem Lett 26: 5263-5266 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.049
BindingDB Entry DOI: 10.7270/Q2Q52RMS
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50198912
PNG
(CHEBI:29009 | N-Methylhistamine)
Show SMILES Cn1cnc(CCN)c1
Show InChI InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
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PubMed
1.10E+4n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Binding affinity to histamine H4 receptor (unknown origin)


Bioorg Med Chem Lett 26: 5263-5266 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.049
BindingDB Entry DOI: 10.7270/Q2Q52RMS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50198912
PNG
(CHEBI:29009 | N-Methylhistamine)
Show SMILES Cn1cnc(CCN)c1
Show InChI InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
PDB

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PubMed
2.00E+4n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor (unknown origin)


Bioorg Med Chem Lett 26: 5263-5266 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.049
BindingDB Entry DOI: 10.7270/Q2Q52RMS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%