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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 = 'BDBM50413498'   
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))
BDBM50413498
PNG
(CHEMBL475621 | UR-PI294)
Show SMILES CCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:7.7|
Show InChI InChI=1S/C10H17N5O/c1-2-9(16)15-10(11)13-5-3-4-8-6-12-7-14-8/h6-7H,2-5H2,1H3,(H,12,14)(H3,11,13,15,16)
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PC sid
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Article
PubMed
n/an/an/an/a 3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H4 receptor expressed in insect Sf9 cells co-expressing RGS19 fusion protein and Gialpha2, Gbeta1gamma2 assessed as gamma[3...


J Med Chem 52: 2623-7 (2009)


Article DOI: 10.1021/jm9000693
BindingDB Entry DOI: 10.7270/Q2P270BN
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Rattus norvegicus (rat))
BDBM50413498
PNG
(CHEMBL475621 | UR-PI294)
Show SMILES CCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:7.7|
Show InChI InChI=1S/C10H17N5O/c1-2-9(16)15-10(11)13-5-3-4-8-6-12-7-14-8/h6-7H,2-5H2,1H3,(H,12,14)(H3,11,13,15,16)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 3.31E+3n/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
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50413498
PNG
(CHEMBL475621 | UR-PI294)
Show SMILES CCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:7.7|
Show InChI InChI=1S/C10H17N5O/c1-2-9(16)15-10(11)13-5-3-4-8-6-12-7-14-8/h6-7H,2-5H2,1H3,(H,12,14)(H3,11,13,15,16)
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 4.5n/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
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Mus musculus (mouse))
BDBM50413498
PNG
(CHEMBL475621 | UR-PI294)
Show SMILES CCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:7.7|
Show InChI InChI=1S/C10H17N5O/c1-2-9(16)15-10(11)13-5-3-4-8-6-12-7-14-8/h6-7H,2-5H2,1H3,(H,12,14)(H3,11,13,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 794n/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
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair