BindingDB logo
myBDB logout

null

SMILES: CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(C)=O)CC1

InChI Key: InChIKey=ZYPSPPAGXNKFQM-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 3 hits for monomerid = 50220113   
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


(Rattus norvegicus (rat))
BDBM50220113
PNG
(CHEMBL62840)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(C)=O)CC1
Show InChI InChI=1S/C18H26N2O4/c1-3-23-18(22)20-12-10-19(11-13-20)9-4-14-24-17-7-5-16(6-8-17)15(2)21/h5-8H,3-4,9-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for the rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 2031-4 (2002)


BindingDB Entry DOI: 10.7270/Q2MK6G21
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50220113
PNG
(CHEMBL62840)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(C)=O)CC1
Show InChI InChI=1S/C18H26N2O4/c1-3-23-18(22)20-12-10-19(11-13-20)9-4-14-24-17-7-5-16(6-8-17)15(2)21/h5-8H,3-4,9-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.24E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for the human Histamine H1 Receptor


Bioorg Med Chem Lett 12: 2031-4 (2002)


BindingDB Entry DOI: 10.7270/Q2MK6G21
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50220113
PNG
(CHEMBL62840)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(C)=O)CC1
Show InChI InChI=1S/C18H26N2O4/c1-3-23-18(22)20-12-10-19(11-13-20)9-4-14-24-17-7-5-16(6-8-17)15(2)21/h5-8H,3-4,9-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.98E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for the human Histamine H2 receptor


Bioorg Med Chem Lett 12: 2031-4 (2002)


BindingDB Entry DOI: 10.7270/Q2MK6G21
More data for this
Ligand-Target Pair