Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 4' and Ligand = 'BDBM50446072'   

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))	BDBM50446072 (CHEMBL3103369) Show SMILES O=C(NC1CCCCC1)N1c2ccccc2C=Cc2ccccc12 |c:18| Show InChI InChI=1S/C21H22N2O/c24-21(22-18-10-2-1-3-11-18)23-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)23/h4-9,12-15,18H,1-3,10-11H2,(H,22,24)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...				Bioorg Med Chem 22: 1077-88 (2014) Article DOI: 10.1016/j.bmc.2013.12.035 BindingDB Entry DOI: 10.7270/Q21R6S09
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Mus musculus)	BDBM50446072 (CHEMBL3103369) Show SMILES O=C(NC1CCCCC1)N1c2ccccc2C=Cc2ccccc12 |c:18| Show InChI InChI=1S/C21H22N2O/c24-21(22-18-10-2-1-3-11-18)23-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)23/h4-9,12-15,18H,1-3,10-11H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2X4 receptor assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP ad...				Bioorg Med Chem 22: 1077-88 (2014) Article DOI: 10.1016/j.bmc.2013.12.035 BindingDB Entry DOI: 10.7270/Q21R6S09
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (RAT)	BDBM50446072 (CHEMBL3103369) Show SMILES O=C(NC1CCCCC1)N1c2ccccc2C=Cc2ccccc12 |c:18| Show InChI InChI=1S/C21H22N2O/c24-21(22-18-10-2-1-3-11-18)23-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)23/h4-9,12-15,18H,1-3,10-11H2,(H,22,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at rat P2X4 receptor assessed as inhibition of ATP-induced calcium influx preincubated for 30 mins followed by ATP addition by Fl...				Bioorg Med Chem 22: 1077-88 (2014) Article DOI: 10.1016/j.bmc.2013.12.035 BindingDB Entry DOI: 10.7270/Q21R6S09
					More data for this Ligand-Target Pair