Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50499846'   

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))	BDBM50499846 (CHEMBL3742001) Show SMILES Brc1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H26BrN5O6S/c32-24-8-6-22(7-9-24)30(39)36-16-14-35(15-17-36)29-18-28(38)34-31(40)37(29)20-21-4-10-25(11-5-21)43-44(41,42)27-3-1-2-23-19-33-13-12-26(23)27/h1-13,18-19H,14-17,20H2,(H,34,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor expressed in LPS/IFNgamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta produ...				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499846 (CHEMBL3742001) Show SMILES Brc1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H26BrN5O6S/c32-24-8-6-22(7-9-24)30(39)36-16-14-35(15-17-36)29-18-28(38)34-31(40)37(29)20-21-4-10-25(11-5-21)43-44(41,42)27-3-1-2-23-19-33-13-12-26(23)27/h1-13,18-19H,14-17,20H2,(H,34,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair