Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 1' and Ligand = 'BDBM50444432'   

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 1 (Mus musculus)	BDBM50444432 (CHEMBL3091610) Show SMILES Cc1nc(CCc2ccc(cc2)C(O)=O)c(C(O)=O)c(C(O)=O)c1O Show InChI InChI=1S/C17H15NO7/c1-8-14(19)13(17(24)25)12(16(22)23)11(18-8)7-4-9-2-5-10(6-3-9)15(20)21/h2-3,5-6,19H,4,7H2,1H3,(H,20,21)(H,22,23)(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	267	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...				Eur J Med Chem 70: 811-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.026 BindingDB Entry DOI: 10.7270/Q2M61MQH
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