BDBM50510517 CHEMBL4459986

SMILES: OCCC1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1

InChI Key: InChIKey=SUPUIFPUWMWANZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50510517   

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))	BDBM50510517 (CHEMBL4459986) Show SMILES OCCC1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 Show InChI InChI=1S/C23H28ClF2N3O2/c24-18-2-3-19-17(1-4-20(28-19)29-11-7-16(14-29)8-12-30)21(18)22(31)27-13-15-5-9-23(25,26)10-6-15/h1-4,15-16,30H,5-14H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510517 (CHEMBL4459986) Show SMILES OCCC1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 Show InChI InChI=1S/C23H28ClF2N3O2/c24-18-2-3-19-17(1-4-20(28-19)29-11-7-16(14-29)8-12-30)21(18)22(31)27-13-15-5-9-23(25,26)10-6-15/h1-4,15-16,30H,5-14H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033
					More data for this Ligand-Target Pair