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BDBM50158590 1-(3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-phenyl)-ethanone::CHEMBL178853

SMILES: C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1cccc(c1)C(C)=O

InChI Key: InChIKey=AZWATKGVDUSMSO-MRXNPFEDSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50158590   
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 (H3)


(Homo sapiens (Human))
BDBM50158590
PNG
(1-(3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-b...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C23H25NO2/c1-16-5-4-11-24(16)12-10-22-15-21-14-20(8-9-23(21)26-22)19-7-3-6-18(13-19)17(2)25/h3,6-9,13-16H,4-5,10-12H2,1-2H3/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50158590
PNG
(1-(3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-b...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C23H25NO2/c1-16-5-4-11-24(16)12-10-22-15-21-14-20(8-9-23(21)26-22)19-7-3-6-18(13-19)17(2)25/h3,6-9,13-16H,4-5,10-12H2,1-2H3/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.410n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing rat histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair