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BDBM50499848 CHEMBL3741759

SMILES: Fc1ccc(CN2CCN(CC2)c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)cc1

InChI Key: InChIKey=NMZNVRLHDXQARL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50499848   
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))		BDBM50499848
PNG
(CHEMBL3741759)
Show SMILES Fc1ccc(CN2CCN(CC2)c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)cc1
Show InChI InChI=1S/C31H28FN5O5S/c32-25-8-4-22(5-9-25)20-35-14-16-36(17-15-35)30-18-29(38)34-31(39)37(30)21-23-6-10-26(11-7-23)42-43(40,41)28-3-1-2-24-19-33-13-12-27(24)28/h1-13,18-19H,14-17,20-21H2,(H,34,38,39)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.43E+3n/an/an/an/an/an/a



Gwangju 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 ethidium ion uptake after 2 hrs

Eur J Med Chem 106: 180-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.036
BindingDB Entry DOI: 10.7270/Q2RR227R
More data for this
Ligand-Target Pair