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BDBM50158598 CHEMBL178950::Cyclopropyl-(4-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-phenyl)-methanone

SMILES: C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)C1CC1

InChI Key: InChIKey=POAWKGPFNHDXRG-QGZVFWFLSA-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 = 50158598   
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))
BDBM50158598
PNG
(CHEMBL178950 | Cyclopropyl-(4-{2-[2-((R)-2-methyl-...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)C1CC1
Show InChI InChI=1S/C25H27NO2/c1-17-3-2-13-26(17)14-12-23-16-22-15-21(10-11-24(22)28-23)18-4-6-19(7-5-18)25(27)20-8-9-20/h4-7,10-11,15-17,20H,2-3,8-9,12-14H2,1H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.260n/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))
BDBM50158598
PNG
(CHEMBL178950 | Cyclopropyl-(4-{2-[2-((R)-2-methyl-...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)C1CC1
Show InChI InChI=1S/C25H27NO2/c1-17-3-2-13-26(17)14-12-23-16-22-15-21(10-11-24(22)28-23)18-4-6-19(7-5-18)25(27)20-8-9-20/h4-7,10-11,15-17,20H,2-3,8-9,12-14H2,1H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.36n/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