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BDBM50414305 CHEMBL551360

SMILES: OCC(CO)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2c1=O

InChI Key: InChIKey=POPXTQJORVQTRM-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 = 50414305   
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))
BDBM50414305
PNG
(CHEMBL551360)
Show SMILES OCC(CO)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2c1=O |TLB:15:14:17.16.21:19,21:16:23:20.19.22,21:20:23:17.16.15,13:14:17.16.21:19,THB:15:16:19:23.14.22,13:14:17:21.20.19,22:14:17:21.20.19,22:20:17:23.15.14|
Show InChI InChI=1S/C24H30N2O4/c27-13-18(14-28)26-5-4-19-20(23(26)30)2-1-3-21(19)25-22(29)12-24-9-15-6-16(10-24)8-17(7-15)11-24/h1-5,15-18,27-28H,6-14H2,(H,25,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake


J Med Chem 52: 3123-41 (2009)


Article DOI: 10.1021/jm801528x
More data for this
Ligand-Target Pair