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SMILES: CC(CN1CCN(CC1)c1ncccn1)N1Cc2c(C1=O)c(nn2-c1ccc(F)cc1)-c1ccccc1

InChI Key: InChIKey=FAOGRUYOQUPYRC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50415562   
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 3


(RAT)		BDBM50415562
PNG
(CHEMBL604944)
Show SMILES CC(CN1CCN(CC1)c1ncccn1)N1Cc2c(C1=O)c(nn2-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C28H28FN7O/c1-20(18-33-14-16-34(17-15-33)28-30-12-5-13-31-28)35-19-24-25(27(35)37)26(21-6-3-2-4-7-21)32-36(24)23-10-8-22(29)9-11-23/h2-13,20H,14-19H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 1031-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.044
BindingDB Entry DOI: 10.7270/Q22V2HCR
More data for this
Ligand-Target Pair