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BDBM50079580 CHEMBL3417584

SMILES: Cc1cc(OCCCN2CCCCC2)ccc1C1=NNC(=O)C2CC12

InChI Key: InChIKey=GMWQPCQKDGDGCX-UHFFFAOYSA-N

Data: 2 KI

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 = 50079580   
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))
BDBM50079580
PNG
(CHEMBL3417584)
Show SMILES Cc1cc(OCCCN2CCCCC2)ccc1C1=NNC(=O)C2CC12 |t:19|
Show InChI InChI=1S/C20H27N3O2/c1-14-12-15(25-11-5-10-23-8-3-2-4-9-23)6-7-16(14)19-17-13-18(17)20(24)22-21-19/h6-7,12,17-18H,2-5,8-11,13H2,1H3,(H,22,24)
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50079580
PNG
(CHEMBL3417584)
Show SMILES Cc1cc(OCCCN2CCCCC2)ccc1C1=NNC(=O)C2CC12 |t:19|
Show InChI InChI=1S/C20H27N3O2/c1-14-12-15(25-11-5-10-23-8-3-2-4-9-23)6-7-16(14)19-17-13-18(17)20(24)22-21-19/h6-7,12,17-18H,2-5,8-11,13H2,1H3,(H,22,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
139n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair