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BDBM50418058 CHEMBL1688946

SMILES: C(Cc1cnc[nH]1)Cn1cc(CC2CCCCC2)nn1

InChI Key: InChIKey=WNDPQJQMFPORJY-UHFFFAOYSA-N

Data: 2 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50418058   
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))
BDBM50418058
PNG
(CHEMBL1688946)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(CC2CCCCC2)nn1
Show InChI InChI=1S/C15H23N5/c1-2-5-13(6-3-1)9-15-11-20(19-18-15)8-4-7-14-10-16-12-17-14/h10-13H,1-9H2,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.32n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50418058
PNG
(CHEMBL1688946)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(CC2CCCCC2)nn1
Show InChI InChI=1S/C15H23N5/c1-2-5-13(6-3-1)9-15-11-20(19-18-15)8-4-7-14-10-16-12-17-14/h10-13H,1-9H2,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
126n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50418058
PNG
(CHEMBL1688946)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(CC2CCCCC2)nn1
Show InChI InChI=1S/C15H23N5/c1-2-5-13(6-3-1)9-15-11-20(19-18-15)8-4-7-14-10-16-12-17-14/h10-13H,1-9H2,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in HEK293 cells assessed by forskolin induced cAMP response element activation by luciferas...


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair