Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50126724'   

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))	BDBM50126724 (CHEMBL282808 | Isoquinoline-5-sulfonic acid 4-{(S)...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C40H37N5O7S2/c1-28(46)30-11-13-33(14-12-30)44-21-23-45(24-22-44)40(47)37(43(2)53(48,49)38-7-3-5-31-26-41-19-17-35(31)38)25-29-9-15-34(16-10-29)52-54(50,51)39-8-4-6-32-27-42-20-18-36(32)39/h3-20,26-27,37H,21-25H2,1-2H3/t37-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126724 (CHEMBL282808 | Isoquinoline-5-sulfonic acid 4-{(S)...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C40H37N5O7S2/c1-28(46)30-11-13-33(14-12-30)44-21-23-45(24-22-44)40(47)37(43(2)53(48,49)38-7-3-5-31-26-41-19-17-35(31)38)25-29-9-15-34(16-10-29)52-54(50,51)39-8-4-6-32-27-42-20-18-36(32)39/h3-20,26-27,37H,21-25H2,1-2H3/t37-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	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