Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM203323'   

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))	BDBM203323 ((6r,10s)-11-{[3-fluoro-2-(trifluoromethyl)pyridin-...) Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C20H16F4N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.20	n/a	21	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 US9540388 (2017) BindingDB Entry DOI: 10.7270/Q20V8B0D
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM203323 ((6r,10s)-11-{[3-fluoro-2-(trifluoromethyl)pyridin-...) Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C20H16F4N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.20	n/a	327	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 US9540388 (2017) BindingDB Entry DOI: 10.7270/Q20V8B0D
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM203323 ((6r,10s)-11-{[3-fluoro-2-(trifluoromethyl)pyridin-...) Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C20H16F4N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.20	n/a	1.49E+3	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 US9540388 (2017) BindingDB Entry DOI: 10.7270/Q20V8B0D
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM203323 ((6r,10s)-11-{[3-fluoro-2-(trifluoromethyl)pyridin-...) Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C20H16F4N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.20	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 US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM203323 ((6r,10s)-11-{[3-fluoro-2-(trifluoromethyl)pyridin-...) Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C20H16F4N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.80	n/a	1.49E+3	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 US9540388 (2017) BindingDB Entry DOI: 10.7270/Q20V8B0D
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM203323 ((6r,10s)-11-{[3-fluoro-2-(trifluoromethyl)pyridin-...) Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C20H16F4N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.80	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 US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM203323 ((6r,10s)-11-{[3-fluoro-2-(trifluoromethyl)pyridin-...) Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C20H16F4N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.9	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 US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM203323 ((6r,10s)-11-{[3-fluoro-2-(trifluoromethyl)pyridin-...) Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2 |r,THB:11:13:19.29.30:15.16.17| Show InChI InChI=1S/C20H16F4N6O/c21-15-12(7-9-26-16(15)20(22,23)24)19(31)30-11-4-3-6-14(30)18-28-27-17(29(18)10-11)13-5-1-2-8-25-13/h1-2,5,7-9,11,14H,3-4,6,10H2/t11-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	327	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 US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair