Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 4' and Ligand = 'BDBM85730'   

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 4 (Homo sapiens (Human))	BDBM85730 (CAS_5311313 | NF023 | NSC_5311313) Show SMILES [O-]S(=O)(=O)c1cc(c2c(Nc3cccc(NC(=O)Nc4cccc(Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c4)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C33H26N4O19S6/c38-33(36-19-5-1-3-17(11-19)34-25-7-9-27(59(45,46)47)23-13-21(57(39,40)41)15-29(31(23)25)61(51,52)53)37-20-6-2-4-18(12-20)35-26-8-10-28(60(48,49)50)24-14-22(58(42,43)44)16-30(32(24)26)62(54,55)56/h1-16,34-35H,(H2,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/p-6	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocentre Niederursel Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000) Article DOI: 10.1007/s002100000312 BindingDB Entry DOI: 10.7270/Q2CF9NPR
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