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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM50415601'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
P2X purinoceptor 3


(RAT)		BDBM50415601
PNG
(CHEMBL598103)
Show SMILES CC(CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccc(C)cc1
Show InChI InChI=1S/C23H29N5O2S/c1-15-5-7-18(8-6-15)21-19-13-20(31-23(19)26(4)25-21)22(30)24-16(2)14-27-9-11-28(12-10-27)17(3)29/h5-8,13,16H,9-12,14H2,1-4H3,(H,24,30)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 39.8n/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