BDBM50499853 CHEMBL3739871

SMILES: O=C(N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C12CC3CC1CC(C2)C3

InChI Key: InChIKey=YRGDJYHSCJUVOB-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 = 50499853   

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))	BDBM50499853 (CHEMBL3739871) Show SMILES O=C(N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C12CC3CC1CC(C2)C3 |TLB:40:39:44:41.42,42:41:45.43.44:38,THB:42:43:38:40.41| Show InChI InChI=1S/C34H35N5O6S/c40-30-17-31(37-10-12-38(13-11-37)32(41)34-18-23-14-24(19-34)16-26(34)15-23)39(33(42)36-30)21-22-4-6-27(7-5-22)45-46(43,44)29-3-1-2-25-20-35-9-8-28(25)29/h1-9,17,20,23-24,26H,10-16,18-19,21H2,(H,36,40,42)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	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