BindingDB logo
myBDB logout

BDBM50006739 CHEMBL3236552

SMILES: CN1CCN(CC1)c1cc(nc(N)n1)C1CCCC1

InChI Key: InChIKey=XRRHZMPFHWPMIR-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50006739   
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 receptor (H4)


(Homo sapiens (human))
BDBM50006739
PNG
(CHEMBL3236552)
Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)C1CCCC1
Show InChI InChI=1S/C14H23N5/c1-18-6-8-19(9-7-18)13-10-12(16-14(15)17-13)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,15,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Agonist activity at human H4 receptor


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50006739
PNG
(CHEMBL3236552)
Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)C1CCCC1
Show InChI InChI=1S/C14H23N5/c1-18-6-8-19(9-7-18)13-10-12(16-14(15)17-13)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,15,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair