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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 = 'BDBM50061015'   
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))
BDBM50061015
PNG
(CHEMBL3393549 | US9732087, 101)
Show SMILES CC(C)CNc1cc(cnn1)N1CCN(C)CC1
Show InChI InChI=1S/C13H23N5/c1-11(2)9-14-13-8-12(10-15-16-13)18-6-4-17(3)5-7-18/h8,10-11H,4-7,9H2,1-3H3,(H,14,16)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
US Patent
1.00E+4n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
Cell pellets from SK-N-MC cells stably or transiently transfected with human H4 receptor (NCBI accession No. AF312230) were used for the binding assa...


US Patent US9732087 (2017)


Article DOI: 10.1021/jm060807n
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061015
PNG
(CHEMBL3393549 | US9732087, 101)
Show SMILES CC(C)CNc1cc(cnn1)N1CCN(C)CC1
Show InChI InChI=1S/C13H23N5/c1-11(2)9-14-13-8-12(10-15-16-13)18-6-4-17(3)5-7-18/h8,10-11H,4-7,9H2,1-3H3,(H,14,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor


Bioorg Med Chem Lett 25: 956-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.027
BindingDB Entry DOI: 10.7270/Q2639RDD
More data for this
Ligand-Target Pair