Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM242080'   

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))	BDBM242080 (US9415055, (+)2-chloro-N-[2-(4,4-difluoro-1-piperi...) Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCC(F)(F)CC1)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C20H18ClF6N3O/c21-13-2-1-3-14(22)17(13)18(31)29-11-15(30-8-6-19(23,24)7-9-30)12-4-5-16(28-10-12)20(25,26)27/h1-5,10,15H,6-9,11H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	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))	BDBM242080 (US9415055, (+)2-chloro-N-[2-(4,4-difluoro-1-piperi...) Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCC(F)(F)CC1)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C20H18ClF6N3O/c21-13-2-1-3-14(22)17(13)18(31)29-11-15(30-8-6-19(23,24)7-9-30)12-4-5-16(28-10-12)20(25,26)27/h1-5,10,15H,6-9,11H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	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))	BDBM242080 (US9415055, (+)2-chloro-N-[2-(4,4-difluoro-1-piperi...) Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCC(F)(F)CC1)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C20H18ClF6N3O/c21-13-2-1-3-14(22)17(13)18(31)29-11-15(30-8-6-19(23,24)7-9-30)12-4-5-16(28-10-12)20(25,26)27/h1-5,10,15H,6-9,11H2,(H,29,31)	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