BDBM50344904 (R)-1-(3,4-difluorobenzyl)-2-(6-(4,4-difluoropiperidine-1-carbonyl)pyridin-3-yl)-5-ethyl-7-isopropyl-7,8-dihydro-1H-imidazo[2,1-b]purin-4(5H)-one::CHEMBL1778031

SMILES: CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)C(=O)N3CCC(F)(F)CC3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C

InChI Key: InChIKey=LNTZROYKNQQUPG-QHCPKHFHSA-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 = 50344904   

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))	BDBM50344904 ((R)-1-(3,4-difluorobenzyl)-2-(6-(4,4-difluoropiper...) Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)C(=O)N3CCC(F)(F)CC3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3| Show InChI InChI=1S/C30H31F4N7O2/c1-4-39-28(43)24-26(41-16-23(17(2)3)36-29(39)41)40(15-18-5-7-20(31)21(32)13-18)25(37-24)19-6-8-22(35-14-19)27(42)38-11-9-30(33,34)10-12-38/h5-8,13-14,17,23H,4,9-12,15-16H2,1-3H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	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