BDBM50222400 CHEMBL130520

SMILES: CC(=O)NNC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=XTVWXAJXXHEWEV-UHFFFAOYSA-N

Data: 1 IC50

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 = 50222400   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50222400 (CHEMBL130520) Show SMILES CC(=O)NNC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H24N4O4/c1-17(28)25-26-21(8-5-18-11-13-24-14-12-18)16-31-23-9-6-19(7-10-23)20-3-2-4-22(15-20)27(29)30/h2-4,6-7,9-15,21,26H,5,8,16H2,1H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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