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BDBM50256651 13-(2-Chloro-6-fluoro-benzyl)-9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium chloride::CHEMBL475452

SMILES: COc1ccc2c(Cc3c(F)cccc3Cl)c3-c4cc5OCOc5cc4CC[n+]3cc2c1OC

InChI Key: InChIKey=OBVJOUIGKDWJIL-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50256651   
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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50256651
PNG
(13-(2-Chloro-6-fluoro-benzyl)-9,10-dimethoxy-5,6-d...)
Show SMILES COc1ccc2c(Cc3c(F)cccc3Cl)c3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
Show InChI InChI=1S/C27H22ClFNO4/c1-31-23-7-6-16-18(11-19-21(28)4-3-5-22(19)29)26-17-12-25-24(33-14-34-25)10-15(17)8-9-30(26)13-20(16)27(23)32-2/h3-7,10,12-13H,8-9,11,14H2,1-2H3/q+1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation


Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair