BDBM50318019 2-chloro-N-((4,4-difluoro-1-hydroxycycloheptyl)methyl)-5-(5-fluoropyrimidin-2-yl)benzamide::CHEMBL1096083

SMILES: OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCC(F)(F)CC1

InChI Key: InChIKey=ZOQUSKSMFRGDQE-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 = 50318019   

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))	BDBM50318019 (2-chloro-N-((4,4-difluoro-1-hydroxycycloheptyl)met...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCC(F)(F)CC1 Show InChI InChI=1S/C19H19ClF3N3O2/c20-15-3-2-12(16-24-9-13(21)10-25-16)8-14(15)17(27)26-11-18(28)4-1-5-19(22,23)7-6-18/h2-3,8-10,28H,1,4-7,11H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer St. Louis Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 20: 3107-11 (2010) Article DOI: 10.1016/j.bmcl.2010.03.094 BindingDB Entry DOI: 10.7270/Q2D50N4Q
					More data for this Ligand-Target Pair