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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H4 receptor' and Ligand = 'BDBM50061070'   
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))
BDBM50061070
PNG
(CHEMBL3393536 | US9732087, 53)
Show SMILES CC(C)Nc1nccc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C12H21N5/c1-10(2)14-12-13-5-4-11(15-12)17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,13,14,15)
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UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
24.3n/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)

More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061070
PNG
(CHEMBL3393536 | US9732087, 53)
Show SMILES CC(C)Nc1nccc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C12H21N5/c1-10(2)14-12-13-5-4-11(15-12)17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,13,14,15)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
117n/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
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061070
PNG
(CHEMBL3393536 | US9732087, 53)
Show SMILES CC(C)Nc1nccc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C12H21N5/c1-10(2)14-12-13-5-4-11(15-12)17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,13,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 112n/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H4 receptor expressed in SK-N-MC cells assessed as effect on forskolin-stimulated cAMP-mediated repor...


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