Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM241777'   

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))	BDBM241777 (US9409917, 74 | US9409917, 75) Show SMILES FC1(F)CCN(CC1)C(CNC(=O)C1COc2ncccc12)c1ccc(Cl)nc1 Show InChI InChI=1S/C20H21ClF2N4O2/c21-17-4-3-13(10-25-17)16(27-8-5-20(22,23)6-9-27)11-26-18(28)15-12-29-19-14(15)2-1-7-24-19/h1-4,7,10,15-16H,5-6,8-9,11-12H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35.3	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...				US Patent US9409917 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VC8
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM241777 (US9409917, 74 | US9409917, 75) Show SMILES FC1(F)CCN(CC1)C(CNC(=O)C1COc2ncccc12)c1ccc(Cl)nc1 Show InChI InChI=1S/C20H21ClF2N4O2/c21-17-4-3-13(10-25-17)16(27-8-5-20(22,23)6-9-27)11-26-18(28)15-12-29-19-14(15)2-1-7-24-19/h1-4,7,10,15-16H,5-6,8-9,11-12H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...				US Patent US9409917 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VC8
					More data for this Ligand-Target Pair