BindingDB logo
myBDB logout

null

SMILES: CNC(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)N2C(=O)CCCC2=O)cc1

InChI Key: InChIKey=NZRUTHHHPHKQDY-UHFFFAOYSA-N

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 = 50421614   
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))		BDBM50421614
PNG
(CHEMBL131276)
Show SMILES CNC(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)N2C(=O)CCCC2=O)cc1
Show InChI InChI=1S/C29H29N3O6/c1-30-29(35)22-11-8-20(9-12-22)10-15-25(31-27(33)6-3-7-28(31)34)19-38-26-16-13-21(14-17-26)23-4-2-5-24(18-23)32(36)37/h2,4-5,8-9,11-14,16-18,25H,3,6-7,10,15,19H2,1H3,(H,30,35)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.

Bioorg Med Chem Lett 13: 4043-6 (2003)


BindingDB Entry DOI: 10.7270/Q2930VCQ
More data for this
Ligand-Target Pair