Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 4' and Ligand = 'BDBM50506194'   

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))	BDBM50506194 (CHEMBL4462656) Show SMILES [Na;v0+].O=[#6]-1-[#6]-[#6](=O)-[#7](-c2cccc(c2)-c2noc(=S)[n-]2)-c2ccc3ccccc3c2-[#7]-1 Show InChI InChI=1S/C21H14N4O3S/c26-17-11-18(27)25(14-6-3-5-13(10-14)20-23-21(29)28-24-20)16-9-8-12-4-1-2-7-15(12)19(16)22-17/h1-10H,11H2,(H2,22,23,24,26,29)/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx incubated for 15 min...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
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P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506194 (CHEMBL4462656) Show SMILES [Na;v0+].O=[#6]-1-[#6]-[#6](=O)-[#7](-c2cccc(c2)-c2noc(=S)[n-]2)-c2ccc3ccccc3c2-[#7]-1 Show InChI InChI=1S/C21H14N4O3S/c26-17-11-18(27)25(14-6-3-5-13(10-14)20-23-21(29)28-24-20)16-9-8-12-4-1-2-7-15(12)19(16)22-17/h1-10H,11H2,(H2,22,23,24,26,29)/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01197 BindingDB Entry DOI: 10.7270/Q2RX9H1T
					More data for this Ligand-Target Pair