BDBM50237793 CHEMBL4070352

SMILES: COc1cccc(N\C(NCC23CC4CC(CC(C4)C2)C3)=N\C#N)c1

InChI Key: InChIKey=BKZLASBRTMKYQM-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 = 50237793   

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))	BDBM50237793 (CHEMBL4070352) Show SMILES COc1cccc(N\C(NCC23CC4CC(CC(C4)C2)C3)=N\C#N)c1 |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11| Show InChI InChI=1S/C20H26N4O/c1-25-18-4-2-3-17(8-18)24-19(23-13-21)22-12-20-9-14-5-15(10-20)7-16(6-14)11-20/h2-4,8,14-16H,5-7,9-12H2,1H3,(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced YO-PRO-1 Iodide uptake measured every 30 secs for 1 ...				Eur J Med Chem 130: 433-439 (2017) Article DOI: 10.1016/j.ejmech.2017.02.060 BindingDB Entry DOI: 10.7270/Q2SJ1NW5
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