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BDBM50411868 CHEMBL409519

SMILES: COc1ccc(CNc2ncnn2-c2cccc(Cl)c2Cl)cc1

InChI Key: InChIKey=NZWXRAADBLOHQL-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 = 50411868   
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 (P2X7)


(Rattus norvegicus (Rat))
BDBM50411868
PNG
(CHEMBL409519)
Show SMILES COc1ccc(CNc2ncnn2-c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C16H14Cl2N4O/c1-23-12-7-5-11(6-8-12)9-19-16-20-10-21-22(16)14-4-2-3-13(17)15(14)18/h2-8,10H,9H2,1H3,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 18: 2089-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.095
BindingDB Entry DOI: 10.7270/Q2ZW1N5R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50411868
PNG
(CHEMBL409519)
Show SMILES COc1ccc(CNc2ncnn2-c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C16H14Cl2N4O/c1-23-12-7-5-11(6-8-12)9-19-16-20-10-21-22(16)14-4-2-3-13(17)15(14)18/h2-8,10H,9H2,1H3,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 18: 2089-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.095
BindingDB Entry DOI: 10.7270/Q2ZW1N5R
More data for this
Ligand-Target Pair