Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM160125'   

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 (Mus musculus)	BDBM160125 (US10047092, 66 | US10053463, 66 | US9040534, 66) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3ncccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-15-12(3-1-4-13(15)20(22,23)24)9-29-14(11-5-6-11)10-30-17(16-25-7-2-8-26-16)27-28-18(30)19(29)31/h1-4,7-8,11,14H,5-6,9-10H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...				US Patent US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160125 (US10047092, 66 | US10053463, 66 | US9040534, 66) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3ncccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-15-12(3-1-4-13(15)20(22,23)24)9-29-14(11-5-6-11)10-30-17(16-25-7-2-8-26-16)27-28-18(30)19(29)31/h1-4,7-8,11,14H,5-6,9-10H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparation...				US Patent US9040534 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160125 (US10047092, 66 | US10053463, 66 | US9040534, 66) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3ncccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-15-12(3-1-4-13(15)20(22,23)24)9-29-14(11-5-6-11)10-30-17(16-25-7-2-8-26-16)27-28-18(30)19(29)31/h1-4,7-8,11,14H,5-6,9-10H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...				US Patent US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160125 (US10047092, 66 | US10053463, 66 | US9040534, 66) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3ncccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-15-12(3-1-4-13(15)20(22,23)24)9-29-14(11-5-6-11)10-30-17(16-25-7-2-8-26-16)27-28-18(30)19(29)31/h1-4,7-8,11,14H,5-6,9-10H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US10047092 (2018) BindingDB Entry DOI: 10.7270/Q27D2X4N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160125 (US10047092, 66 | US10053463, 66 | US9040534, 66) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3ncccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-15-12(3-1-4-13(15)20(22,23)24)9-29-14(11-5-6-11)10-30-17(16-25-7-2-8-26-16)27-28-18(30)19(29)31/h1-4,7-8,11,14H,5-6,9-10H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...				US Patent US9040534 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160125 (US10047092, 66 | US10053463, 66 | US9040534, 66) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3ncccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-15-12(3-1-4-13(15)20(22,23)24)9-29-14(11-5-6-11)10-30-17(16-25-7-2-8-26-16)27-28-18(30)19(29)31/h1-4,7-8,11,14H,5-6,9-10H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high ...				US Patent US10047092 (2018) BindingDB Entry DOI: 10.7270/Q27D2X4N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM160125 (US10047092, 66 | US10053463, 66 | US9040534, 66) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3ncccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-15-12(3-1-4-13(15)20(22,23)24)9-29-14(11-5-6-11)10-30-17(16-25-7-2-8-26-16)27-28-18(30)19(29)31/h1-4,7-8,11,14H,5-6,9-10H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM160125 (US10047092, 66 | US10053463, 66 | US9040534, 66) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3ncccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-15-12(3-1-4-13(15)20(22,23)24)9-29-14(11-5-6-11)10-30-17(16-25-7-2-8-26-16)27-28-18(30)19(29)31/h1-4,7-8,11,14H,5-6,9-10H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.20	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM160125 (US10047092, 66 | US10053463, 66 | US9040534, 66) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3ncccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-15-12(3-1-4-13(15)20(22,23)24)9-29-14(11-5-6-11)10-30-17(16-25-7-2-8-26-16)27-28-18(30)19(29)31/h1-4,7-8,11,14H,5-6,9-10H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.20	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...				US Patent US9040534 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM160125 (US10047092, 66 | US10053463, 66 | US9040534, 66) Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3ncccn3)C2=O)C2CC2)c1Cl |r| Show InChI InChI=1S/C20H16ClF3N6O/c21-15-12(3-1-4-13(15)20(22,23)24)9-29-14(11-5-6-11)10-30-17(16-25-7-2-8-26-16)27-28-18(30)19(29)31/h1-4,7-8,11,14H,5-6,9-10H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.20	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high ...				US Patent US10047092 (2018) BindingDB Entry DOI: 10.7270/Q27D2X4N
					More data for this Ligand-Target Pair