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BDBM50061060 CHEMBL3393539::US9732087, 32

SMILES: CN[C@@H]1CCN(C1)c1ccnc(NCC(C)C)n1

InChI Key: InChIKey=ROOXXUYZFBALHV-LLVKDONJSA-N

Data: 2 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50061060   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061060
PNG
(CHEMBL3393539 | US9732087, 32)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(NCC(C)C)n1
Show InChI InChI=1S/C13H23N5/c1-10(2)8-16-13-15-6-4-12(17-13)18-7-5-11(9-18)14-3/h4,6,10-11,14H,5,7-9H2,1-3H3,(H,15,16,17)/t11-/m1/s1
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Article
PubMed
2n/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))
BDBM50061060
PNG
(CHEMBL3393539 | US9732087, 32)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(NCC(C)C)n1
Show InChI InChI=1S/C13H23N5/c1-10(2)8-16-13-15-6-4-12(17-13)18-7-5-11(9-18)14-3/h4,6,10-11,14H,5,7-9H2,1-3H3,(H,15,16,17)/t11-/m1/s1
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CHEBI
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Article
US Patent
3.08n/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))
BDBM50061060
PNG
(CHEMBL3393539 | US9732087, 32)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(NCC(C)C)n1
Show InChI InChI=1S/C13H23N5/c1-10(2)8-16-13-15-6-4-12(17-13)18-7-5-11(9-18)14-3/h4,6,10-11,14H,5,7-9H2,1-3H3,(H,15,16,17)/t11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEBI
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 15n/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