BindingDB logo
myBDB logout

null

SMILES: O=C1CN=C(c2ccc(cc2)-n2ccnc2CCc2ccccc2)c2ccc3ccccc3c2N1

InChI Key: InChIKey=XLRUFSOYBZOHFT-UHFFFAOYSA-N

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 = 366047   
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 4


(Homo sapiens (Human))		BDBM366047
PNG
(US9873683, Example 41)
Show SMILES O=C1CN=C(c2ccc(cc2)-n2ccnc2CCc2ccccc2)c2ccc3ccccc3c2N1 |t:3|
Show InChI InChI=1S/C30H24N4O/c35-28-20-32-29(26-16-13-22-8-4-5-9-25(22)30(26)33-28)23-11-14-24(15-12-23)34-19-18-31-27(34)17-10-21-6-2-1-3-7-21/h1-9,11-16,18-19H,10,17,20H2,(H,33,35)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 650n/an/an/an/an/an/a



Duquesne University



Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2MW2KFS
More data for this
Ligand-Target Pair