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SMILES: Nc1nc2ccccc2nc1NCCOc1ccc(CN2CCCCC2)cc1

InChI Key: InChIKey=RYDVGAFXMZFSBM-UHFFFAOYSA-N

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 = 50359382   
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 H3 receptor


(Homo sapiens (Human))
BDBM50359382
PNG
(CHEMBL1929406)
Show SMILES Nc1nc2ccccc2nc1NCCOc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C22H27N5O/c23-21-22(26-20-7-3-2-6-19(20)25-21)24-12-15-28-18-10-8-17(9-11-18)16-27-13-4-1-5-14-27/h2-3,6-11H,1,4-5,12-16H2,(H2,23,25)(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamin...


Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50359382
PNG
(CHEMBL1929406)
Show SMILES Nc1nc2ccccc2nc1NCCOc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C22H27N5O/c23-21-22(26-20-7-3-2-6-19(20)25-21)24-12-15-28-18-10-8-17(9-11-18)16-27-13-4-1-5-14-27/h2-3,6-11H,1,4-5,12-16H2,(H2,23,25)(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method


Bioorg Med Chem 19: 7158-67 (2011)


Article DOI: 10.1016/j.bmc.2011.09.061
BindingDB Entry DOI: 10.7270/Q24F1R52
More data for this
Ligand-Target Pair