Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM242168'   

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))	BDBM242168 (US9415055, (-)2-chloro-N-[2-(2-cyclopropylpyrimidi...) Show SMILES FC1(F)CCN(CC1)C(CNC(=O)c1ccccc1Cl)c1cnc(nc1)C1CC1 Show InChI InChI=1S/C21H23ClF2N4O/c22-17-4-2-1-3-16(17)20(29)27-13-18(28-9-7-21(23,24)8-10-28)15-11-25-19(26-12-15)14-5-6-14/h1-4,11-12,14,18H,5-10,13H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description Cell culture: 293 HEK cells, stably transfected with plasmids capable of expressing human P2X7 receptor, were cultured by standard methods. Cells wer...				US Patent US9593105 (2017) BindingDB Entry DOI: 10.7270/Q2R49STH
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM242168 (US9415055, (-)2-chloro-N-[2-(2-cyclopropylpyrimidi...) Show SMILES FC1(F)CCN(CC1)C(CNC(=O)c1ccccc1Cl)c1cnc(nc1)C1CC1 Show InChI InChI=1S/C21H23ClF2N4O/c22-17-4-2-1-3-16(17)20(29)27-13-18(28-9-7-21(23,24)8-10-28)15-11-25-19(26-12-15)14-5-6-14/h1-4,11-12,14,18H,5-10,13H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	7.4	37
H. Lundbeck A/S US Patent					Assay Description Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), NaH2PO42H2O (9.6 mM), HEPES (25 mM), sucrose (280...				US Patent US9415055 (2016) BindingDB Entry DOI: 10.7270/Q2NC604C
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM242168 (US9415055, (-)2-chloro-N-[2-(2-cyclopropylpyrimidi...) Show SMILES FC1(F)CCN(CC1)C(CNC(=O)c1ccccc1Cl)c1cnc(nc1)C1CC1 Show InChI InChI=1S/C21H23ClF2N4O/c22-17-4-2-1-3-16(17)20(29)27-13-18(28-9-7-21(23,24)8-10-28)15-11-25-19(26-12-15)14-5-6-14/h1-4,11-12,14,18H,5-10,13H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description Cell culture: 293 HEK cells, stably transfected with plasmids capable of expressing human P2X7 receptor, were cultured by standard methods. Cells wer...				US Patent US9593105 (2017) BindingDB Entry DOI: 10.7270/Q2R49STH
					More data for this Ligand-Target Pair