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BDBM50158602 3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-benzonitrile::CHEMBL361801

SMILES: C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1cccc(c1)C#N

InChI Key: InChIKey=WWEXCCZITRBBJR-MRXNPFEDSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50158602   
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))
BDBM50158602
PNG
(3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benz...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1cccc(c1)C#N
Show InChI InChI=1S/C22H22N2O/c1-16-4-3-10-24(16)11-9-21-14-20-13-19(7-8-22(20)25-21)18-6-2-5-17(12-18)15-23/h2,5-8,12-14,16H,3-4,9-11H2,1H3/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.270n/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))
BDBM50158602
PNG
(3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benz...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1cccc(c1)C#N
Show InChI InChI=1S/C22H22N2O/c1-16-4-3-10-24(16)11-9-21-14-20-13-19(7-8-22(20)25-21)18-6-2-5-17(12-18)15-23/h2,5-8,12-14,16H,3-4,9-11H2,1H3/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.910n/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