Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50499844'   

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))	BDBM50499844 (CHEMBL3742331) Show SMILES O=C(CC1CC2CCC1C2)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H35N5O6S/c39-30-19-31(36-12-14-37(15-13-36)32(40)18-26-17-23-4-7-24(26)16-23)38(33(41)35-30)21-22-5-8-27(9-6-22)44-45(42,43)29-3-1-2-25-20-34-11-10-28(25)29/h1-3,5-6,8-11,19-20,23-24,26H,4,7,12-18,21H2,(H,35,39,41)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	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))	BDBM50499844 (CHEMBL3742331) Show SMILES O=C(CC1CC2CCC1C2)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H35N5O6S/c39-30-19-31(36-12-14-37(15-13-36)32(40)18-26-17-23-4-7-24(26)16-23)38(33(41)35-30)21-22-5-8-27(9-6-22)44-45(42,43)29-3-1-2-25-20-34-11-10-28(25)29/h1-3,5-6,8-11,19-20,23-24,26H,4,7,12-18,21H2,(H,35,39,41)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	125	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