Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM203314'   

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))	BDBM203314 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1nc(ccc1F)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:20:19:11.18.17:15.14.13| Show InChI InChI=1S/C22H18ClF4N5O/c1-11-15(24)8-9-16(28-11)19-29-30-20-17-7-2-4-12(10-31(19)20)32(17)21(33)13-5-3-6-14(18(13)23)22(25,26)27/h3,5-6,8-9,12,17H,2,4,7,10H2,1H3/t12-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.90	n/a	31	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))	BDBM203314 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1nc(ccc1F)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:20:19:11.18.17:15.14.13| Show InChI InChI=1S/C22H18ClF4N5O/c1-11-15(24)8-9-16(28-11)19-29-30-20-17-7-2-4-12(10-31(19)20)32(17)21(33)13-5-3-6-14(18(13)23)22(25,26)27/h3,5-6,8-9,12,17H,2,4,7,10H2,1H3/t12-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.90	n/a	41	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))	BDBM203314 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1nc(ccc1F)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:20:19:11.18.17:15.14.13| Show InChI InChI=1S/C22H18ClF4N5O/c1-11-15(24)8-9-16(28-11)19-29-30-20-17-7-2-4-12(10-31(19)20)32(17)21(33)13-5-3-6-14(18(13)23)22(25,26)27/h3,5-6,8-9,12,17H,2,4,7,10H2,1H3/t12-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.90	n/a	2.11E+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)	BDBM203314 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1nc(ccc1F)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:20:19:11.18.17:15.14.13| Show InChI InChI=1S/C22H18ClF4N5O/c1-11-15(24)8-9-16(28-11)19-29-30-20-17-7-2-4-12(10-31(19)20)32(17)21(33)13-5-3-6-14(18(13)23)22(25,26)27/h3,5-6,8-9,12,17H,2,4,7,10H2,1H3/t12-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.90	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))	BDBM203314 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1nc(ccc1F)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:20:19:11.18.17:15.14.13| Show InChI InChI=1S/C22H18ClF4N5O/c1-11-15(24)8-9-16(28-11)19-29-30-20-17-7-2-4-12(10-31(19)20)32(17)21(33)13-5-3-6-14(18(13)23)22(25,26)27/h3,5-6,8-9,12,17H,2,4,7,10H2,1H3/t12-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	70.8	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))	BDBM203314 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1nc(ccc1F)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:20:19:11.18.17:15.14.13| Show InChI InChI=1S/C22H18ClF4N5O/c1-11-15(24)8-9-16(28-11)19-29-30-20-17-7-2-4-12(10-31(19)20)32(17)21(33)13-5-3-6-14(18(13)23)22(25,26)27/h3,5-6,8-9,12,17H,2,4,7,10H2,1H3/t12-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	71	n/a	2.11E+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))	BDBM203314 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1nc(ccc1F)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:20:19:11.18.17:15.14.13| Show InChI InChI=1S/C22H18ClF4N5O/c1-11-15(24)8-9-16(28-11)19-29-30-20-17-7-2-4-12(10-31(19)20)32(17)21(33)13-5-3-6-14(18(13)23)22(25,26)27/h3,5-6,8-9,12,17H,2,4,7,10H2,1H3/t12-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30.7	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)	BDBM203314 ((6r,10s)-11-{[2-chloro-3-(trifluoromethyl)phenyl]c...) Show SMILES Cc1nc(ccc1F)-c1nnc2[C@H]3CCC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:20:19:11.18.17:15.14.13| Show InChI InChI=1S/C22H18ClF4N5O/c1-11-15(24)8-9-16(28-11)19-29-30-20-17-7-2-4-12(10-31(19)20)32(17)21(33)13-5-3-6-14(18(13)23)22(25,26)27/h3,5-6,8-9,12,17H,2,4,7,10H2,1H3/t12-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41.1	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 US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair