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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 = 'BDBM50474249'   
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))
BDBM50474249
PNG
(CHEMBL106158)
Show SMILES C\N=C(\NC[C@@H]1CC[C@@H](O1)c1c[nH]cn1)NC#N
Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10+/m0/s1
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200n/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 H4 receptor


(Homo sapiens (Human))
BDBM50474249
PNG
(CHEMBL106158)
Show SMILES C\N=C(\NC[C@@H]1CC[C@@H](O1)c1c[nH]cn1)NC#N
Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10+/m0/s1
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224n/an/an/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Histamine H4 receptor competition binding using [3H]Na-methylhistamine


J Med Chem 46: 3162-5 (2003)


Article DOI: 10.1021/jm0300025
BindingDB Entry DOI: 10.7270/Q24B343F
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50474249
PNG
(CHEMBL106158)
Show SMILES C\N=C(\NC[C@@H]1CC[C@@H](O1)c1c[nH]cn1)NC#N
Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10+/m0/s1
PDB

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PC cid
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n/an/an/an/a 200n/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
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50474249
PNG
(CHEMBL106158)
Show SMILES C\N=C(\NC[C@@H]1CC[C@@H](O1)c1c[nH]cn1)NC#N
Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 224n/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of the forskolin-stimulated cAMP production in SK-N-MC cells expressing human Histamine H4 receptor


J Med Chem 46: 3162-5 (2003)


Article DOI: 10.1021/jm0300025
BindingDB Entry DOI: 10.7270/Q24B343F
More data for this
Ligand-Target Pair