Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50126719'   

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 7 (Homo sapiens (Human))	BDBM50126719 ((S)-4-(3-(4-benzylpiperazin-1-yl)-2-(N-methylisoqu...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H37N5O6S2/c1-42(51(46,47)37-11-5-9-31-26-40-19-17-34(31)37)36(39(45)44-23-21-43(22-24-44)28-30-7-3-2-4-8-30)25-29-13-15-33(16-14-29)50-52(48,49)38-12-6-10-32-27-41-20-18-35(32)38/h2-20,26-27,36H,21-25,28H2,1H3/t36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium influx				J Med Chem 52: 3123-41 (2009) Article DOI: 10.1021/jm801528x BindingDB Entry DOI: 10.7270/Q2251KDR
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126719 ((S)-4-(3-(4-benzylpiperazin-1-yl)-2-(N-methylisoqu...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H37N5O6S2/c1-42(51(46,47)37-11-5-9-31-26-40-19-17-34(31)37)36(39(45)44-23-21-43(22-24-44)28-30-7-3-2-4-8-30)25-29-13-15-33(16-14-29)50-52(48,49)38-12-6-10-32-27-41-20-18-35(32)38/h2-20,26-27,36H,21-25,28H2,1H3/t36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126719 ((S)-4-(3-(4-benzylpiperazin-1-yl)-2-(N-methylisoqu...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H37N5O6S2/c1-42(51(46,47)37-11-5-9-31-26-40-19-17-34(31)37)36(39(45)44-23-21-43(22-24-44)28-30-7-3-2-4-8-30)25-29-13-15-33(16-14-29)50-52(48,49)38-12-6-10-32-27-41-20-18-35(32)38/h2-20,26-27,36H,21-25,28H2,1H3/t36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor (unknown origin)				Bioorg Med Chem 22: 54-88 (2014) Article DOI: 10.1016/j.bmc.2013.10.054 BindingDB Entry DOI: 10.7270/Q27M0BX7
					More data for this Ligand-Target Pair