Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM50415597'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
P2X purinoceptor 3 (RAT)	BDBM50415597 (CHEMBL598729) Show SMILES CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)C(N)=O)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H28FN5O3/c1-3-4-17-18(30-20(25-17)15-5-7-16(22)8-6-15)19(28)24-14(2)13-26-9-11-27(12-10-26)21(23)29/h5-8,14H,3-4,9-13H2,1-2H3,(H2,23,29)(H,24,28)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
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