BindingDB logo
myBDB logout

BDBM89147 1-Ethyl-6-methyl-2-(2-oxo-2-p-tolyl-ethyl)-3,4-dihydro-pyrrolo[1,2-a]pyrazin-2-ium::2-(1-ethyl-6-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)-1-(4-methylphenyl)ethanone;bromide::2-(1-ethyl-6-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)-1-(p-tolyl)ethanone;bromide::MLS000589500::SMR000212853::cid_12005739

SMILES: CCC1=[N+](CC(=O)c2ccc(C)cc2)CCn2c(C)ccc12

InChI Key: InChIKey=PURKWYVCWQJFME-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 89147   
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
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89147
PNG
(1-Ethyl-6-methyl-2-(2-oxo-2-p-tolyl-ethyl)-3,4-dih...)
Show SMILES CCC1=[N+](CC(=O)c2ccc(C)cc2)CCn2c(C)ccc12 |c:2|
Show InChI InChI=1S/C19H23N2O/c1-4-17-18-10-7-15(3)21(18)12-11-20(17)13-19(22)16-8-5-14(2)6-9-16/h5-10H,4,11-13H2,1-3H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.31E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair