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SMILES: CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(cc(c1)-c1ccc(F)cc1)-c1ccc(F)cc1

InChI Key: InChIKey=PSJQHHQUIVUEHD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50415578   
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)		BDBM50415578
PNG
(CHEMBL603453)
Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(cc(c1)-c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H29F2N5O/c1-21(20-36-13-15-37(16-14-36)30-33-11-2-12-34-30)35-29(38)26-18-24(22-3-7-27(31)8-4-22)17-25(19-26)23-5-9-28(32)10-6-23/h2-12,17-19,21H,13-16,20H2,1H3,(H,35,38)
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 398n/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