BDBM50414350 CHEMBL550436

SMILES: CC(CO)n1ccc2c(NC(=O)Cc3ccc(Cl)c(c3)C(F)(F)F)cccc2c1=O

InChI Key: InChIKey=XHTRUFHCZQQMOM-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 = 50414350   

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))	BDBM50414350 (CHEMBL550436) Show SMILES CC(CO)n1ccc2c(NC(=O)Cc3ccc(Cl)c(c3)C(F)(F)F)cccc2c1=O Show InChI InChI=1S/C21H18ClF3N2O3/c1-12(11-28)27-8-7-14-15(20(27)30)3-2-4-18(14)26-19(29)10-13-5-6-17(22)16(9-13)21(23,24)25/h2-9,12,28H,10-11H2,1H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2251KDR
					More data for this Ligand-Target Pair