BDBM50344926 (R)-7-sec-butyl-1-(3,4-difluorobenzyl)-5-ethyl-2-(4-fluorophenyl)-7,8-dihydro-1H-imidazo[2,1-b]purin-4(5H)-one::CHEMBL1777927

SMILES: CC[C@H](C)[C@@H]1CN2C(=N1)N(CC)C(=O)c1nc(-c3ccc(F)cc3)n(Cc3ccc(F)c(F)c3)c21

InChI Key: InChIKey=WOVLXAYHKIHHPA-BTYIYWSLSA-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 = 50344926   

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))	BDBM50344926 ((R)-7-sec-butyl-1-(3,4-difluorobenzyl)-5-ethyl-2-(...) Show SMILES CC[C@H](C)[C@@H]1CN2C(=N1)N(CC)C(=O)c1nc(-c3ccc(F)cc3)n(Cc3ccc(F)c(F)c3)c21 |r,c:7| Show InChI InChI=1S/C26H26F3N5O/c1-4-15(3)21-14-34-24-22(25(35)32(5-2)26(34)30-21)31-23(17-7-9-18(27)10-8-17)33(24)13-16-6-11-19(28)20(29)12-16/h6-12,15,21H,4-5,13-14H2,1-3H3/t15-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	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