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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H4 receptor' and Ligand = 'BDBM50275884'   
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))
BDBM50275884
PNG
(CHEMBL471413 | N1-(3,3-Diphenylpropanoyl)-N2-[3-(1...)
Show SMILES NC(NC(=O)CC(c1ccccc1)c1ccccc1)=NCCCc1cnc[nH]1 |w:19.21|
Show InChI InChI=1S/C22H25N5O/c23-22(25-13-7-12-19-15-24-16-26-19)27-21(28)14-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,15-16,20H,7,12-14H2,(H,24,26)(H3,23,25,27,28)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 7.90n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H4 receptor expressed in Sf9 cells coexpressing RGS19, Galphai2, Gbeta1gamma2 by steady-state GTPase ...


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))
BDBM50275884
PNG
(CHEMBL471413 | N1-(3,3-Diphenylpropanoyl)-N2-[3-(1...)
Show SMILES NC(NC(=O)CC(c1ccccc1)c1ccccc1)=NCCCc1cnc[nH]1 |w:19.21|
Show InChI InChI=1S/C22H25N5O/c23-22(25-13-7-12-19-15-24-16-26-19)27-21(28)14-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,15-16,20H,7,12-14H2,(H,24,26)(H3,23,25,27,28)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.60n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H4 receptor-RGS4 fusion protein expressed in Sf9 cells coexpressing Galphai2 and G-beta-1-gamma-2 by steady-s...


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair