Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM242220'   

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))	BDBM242220 (US9415055, (+)2-chloro-N-[2-[6-(difluoromethyl)-3-...) Show SMILES COc1cccc(C(=O)NCC(N2CCC(F)(F)CC2)c2ccc(nc2)C(F)F)c1Cl Show InChI InChI=1S/C21H22ClF4N3O2/c1-31-17-4-2-3-14(18(17)22)20(30)28-12-16(29-9-7-21(25,26)8-10-29)13-5-6-15(19(23)24)27-11-13/h2-6,11,16,19H,7-10,12H2,1H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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))	BDBM242220 (US9415055, (+)2-chloro-N-[2-[6-(difluoromethyl)-3-...) Show SMILES COc1cccc(C(=O)NCC(N2CCC(F)(F)CC2)c2ccc(nc2)C(F)F)c1Cl Show InChI InChI=1S/C21H22ClF4N3O2/c1-31-17-4-2-3-14(18(17)22)20(30)28-12-16(29-9-7-21(25,26)8-10-29)13-5-6-15(19(23)24)27-11-13/h2-6,11,16,19H,7-10,12H2,1H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	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))	BDBM242220 (US9415055, (+)2-chloro-N-[2-[6-(difluoromethyl)-3-...) Show SMILES COc1cccc(C(=O)NCC(N2CCC(F)(F)CC2)c2ccc(nc2)C(F)F)c1Cl Show InChI InChI=1S/C21H22ClF4N3O2/c1-31-17-4-2-3-14(18(17)22)20(30)28-12-16(29-9-7-21(25,26)8-10-29)13-5-6-15(19(23)24)27-11-13/h2-6,11,16,19H,7-10,12H2,1H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	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