Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM203333'   

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))	BDBM203333 ((6r,10s)-11-[(2,4-dichloro-3-fluorophenyl)carbonyl...) Show SMILES Fc1c(Cl)ccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:7:9:15.25.26:11.12.13| Show InChI InChI=1S/C20H16Cl2FN5O/c21-13-8-7-12(16(22)17(13)23)20(29)28-11-4-3-6-15(28)19-26-25-18(27(19)10-11)14-5-1-2-9-24-14/h1-2,5,7-9,11,15H,3-4,6,10H2/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.90	n/a	726	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))	BDBM203333 ((6r,10s)-11-[(2,4-dichloro-3-fluorophenyl)carbonyl...) Show SMILES Fc1c(Cl)ccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:7:9:15.25.26:11.12.13| Show InChI InChI=1S/C20H16Cl2FN5O/c21-13-8-7-12(16(22)17(13)23)20(29)28-11-4-3-6-15(28)19-26-25-18(27(19)10-11)14-5-1-2-9-24-14/h1-2,5,7-9,11,15H,3-4,6,10H2/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.90	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))	BDBM203333 ((6r,10s)-11-[(2,4-dichloro-3-fluorophenyl)carbonyl...) Show SMILES Fc1c(Cl)ccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:7:9:15.25.26:11.12.13| Show InChI InChI=1S/C20H16Cl2FN5O/c21-13-8-7-12(16(22)17(13)23)20(29)28-11-4-3-6-15(28)19-26-25-18(27(19)10-11)14-5-1-2-9-24-14/h1-2,5,7-9,11,15H,3-4,6,10H2/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.80	n/a	18	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))	BDBM203333 ((6r,10s)-11-[(2,4-dichloro-3-fluorophenyl)carbonyl...) Show SMILES Fc1c(Cl)ccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:7:9:15.25.26:11.12.13| Show InChI InChI=1S/C20H16Cl2FN5O/c21-13-8-7-12(16(22)17(13)23)20(29)28-11-4-3-6-15(28)19-26-25-18(27(19)10-11)14-5-1-2-9-24-14/h1-2,5,7-9,11,15H,3-4,6,10H2/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.80	n/a	462	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))	BDBM203333 ((6r,10s)-11-[(2,4-dichloro-3-fluorophenyl)carbonyl...) Show SMILES Fc1c(Cl)ccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:7:9:15.25.26:11.12.13| Show InChI InChI=1S/C20H16Cl2FN5O/c21-13-8-7-12(16(22)17(13)23)20(29)28-11-4-3-6-15(28)19-26-25-18(27(19)10-11)14-5-1-2-9-24-14/h1-2,5,7-9,11,15H,3-4,6,10H2/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.80	n/a	726	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)	BDBM203333 ((6r,10s)-11-[(2,4-dichloro-3-fluorophenyl)carbonyl...) Show SMILES Fc1c(Cl)ccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:7:9:15.25.26:11.12.13| Show InChI InChI=1S/C20H16Cl2FN5O/c21-13-8-7-12(16(22)17(13)23)20(29)28-11-4-3-6-15(28)19-26-25-18(27(19)10-11)14-5-1-2-9-24-14/h1-2,5,7-9,11,15H,3-4,6,10H2/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.80	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))	BDBM203333 ((6r,10s)-11-[(2,4-dichloro-3-fluorophenyl)carbonyl...) Show SMILES Fc1c(Cl)ccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:7:9:15.25.26:11.12.13| Show InChI InChI=1S/C20H16Cl2FN5O/c21-13-8-7-12(16(22)17(13)23)20(29)28-11-4-3-6-15(28)19-26-25-18(27(19)10-11)14-5-1-2-9-24-14/h1-2,5,7-9,11,15H,3-4,6,10H2/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.6	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)	BDBM203333 ((6r,10s)-11-[(2,4-dichloro-3-fluorophenyl)carbonyl...) Show SMILES Fc1c(Cl)ccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c1Cl |r,THB:7:9:15.25.26:11.12.13| Show InChI InChI=1S/C20H16Cl2FN5O/c21-13-8-7-12(16(22)17(13)23)20(29)28-11-4-3-6-15(28)19-26-25-18(27(19)10-11)14-5-1-2-9-24-14/h1-2,5,7-9,11,15H,3-4,6,10H2/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	462	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