BDBM50499860 CHEMBL3740014

SMILES: O=C(C1CCCCC1)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1

InChI Key: InChIKey=HKJCESNTVOCZHK-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 = 50499860   

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))	BDBM50499860 (CHEMBL3740014) Show SMILES O=C(C1CCCCC1)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H33N5O6S/c37-28-19-29(34-15-17-35(18-16-34)30(38)23-5-2-1-3-6-23)36(31(39)33-28)21-22-9-11-25(12-10-22)42-43(40,41)27-8-4-7-24-20-32-14-13-26(24)27/h4,7-14,19-20,23H,1-3,5-6,15-18,21H2,(H,33,37,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair