BDBM50344912 (R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(6-(trifluoromethyl)pyridin-3-yl)-7,8-dihydro-1H-imidazo[2,1-b]purin-4(5H)-one::CHEMBL1777949

SMILES: CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)C(F)(F)F)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C

InChI Key: InChIKey=AJUOUKOMXGKXDY-SFHVURJKSA-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 = 50344912   

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))	BDBM50344912 ((R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(...) Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)C(F)(F)F)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3| Show InChI InChI=1S/C25H23F5N6O/c1-4-34-23(37)20-22(36-12-18(13(2)3)32-24(34)36)35(11-14-5-7-16(26)17(27)9-14)21(33-20)15-6-8-19(31-10-15)25(28,29)30/h5-10,13,18H,4,11-12H2,1-3H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor by calcium flux assay				Bioorg Med Chem Lett 21: 3805-8 (2011) Article DOI: 10.1016/j.bmcl.2011.04.034 BindingDB Entry DOI: 10.7270/Q25B02SR
					More data for this Ligand-Target Pair