BindingDB logo
myBDB logout

BDBM50414304 CHEMBL550030

SMILES: CC(C)C(CO)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2c1=O

InChI Key: InChIKey=ATAYILSOPBDUTC-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 = 50414304   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50414304
PNG
(CHEMBL550030)
Show SMILES CC(C)C(CO)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2c1=O |TLB:16:15:18.17.22:20,22:17:24:21.20.23,22:21:24:18.17.16,14:15:18.17.22:20,THB:16:17:20:24.15.23,14:15:18:22.21.20,23:15:18:22.21.20,23:21:18:24.16.15|
Show InChI InChI=1S/C26H34N2O3/c1-16(2)23(15-29)28-7-6-20-21(25(28)31)4-3-5-22(20)27-24(30)14-26-11-17-8-18(12-26)10-19(9-17)13-26/h3-7,16-19,23,29H,8-15H2,1-2H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake


J Med Chem 52: 3123-41 (2009)


Article DOI: 10.1021/jm801528x
More data for this
Ligand-Target Pair