Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM174793'   

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))	BDBM174793 (US10053462, 24 | US9102686, 24 | US9540388, 24) Show SMILES Cc1cccc(n1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C22H19ClF3N5O/c1-12-5-2-9-16(27-12)19-28-29-20-17-10-3-6-13(11-30(19)20)31(17)21(32)14-7-4-8-15(18(14)23)22(24,25)26/h2,4-5,7-9,13,17H,3,6,10-11H2,1H3/t13-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	n/a	3.70E+3	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))	BDBM174793 (US10053462, 24 | US9102686, 24 | US9540388, 24) Show SMILES Cc1cccc(n1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C22H19ClF3N5O/c1-12-5-2-9-16(27-12)19-28-29-20-17-10-3-6-13(11-30(19)20)31(17)21(32)14-7-4-8-15(18(14)23)22(24,25)26/h2,4-5,7-9,13,17H,3,6,10-11H2,1H3/t13-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	n/a	>1.00E+4	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 (Homo sapiens (Human))	BDBM174793 (US10053462, 24 | US9102686, 24 | US9540388, 24) Show SMILES Cc1cccc(n1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C22H19ClF3N5O/c1-12-5-2-9-16(27-12)19-28-29-20-17-10-3-6-13(11-30(19)20)31(17)21(32)14-7-4-8-15(18(14)23)22(24,25)26/h2,4-5,7-9,13,17H,3,6,10-11H2,1H3/t13-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70E+3	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 (Homo sapiens (Human))	BDBM174793 (US10053462, 24 | US9102686, 24 | US9540388, 24) Show SMILES Cc1cccc(n1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C22H19ClF3N5O/c1-12-5-2-9-16(27-12)19-28-29-20-17-10-3-6-13(11-30(19)20)31(17)21(32)14-7-4-8-15(18(14)23)22(24,25)26/h2,4-5,7-9,13,17H,3,6,10-11H2,1H3/t13-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Ca.sup.2+flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Me...				US Patent US9102686 (2015) BindingDB Entry DOI: 10.7270/Q22V2DXP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM174793 (US10053462, 24 | US9102686, 24 | US9540388, 24) Show SMILES Cc1cccc(n1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C22H19ClF3N5O/c1-12-5-2-9-16(27-12)19-28-29-20-17-10-3-6-13(11-30(19)20)31(17)21(32)14-7-4-8-15(18(14)23)22(24,25)26/h2,4-5,7-9,13,17H,3,6,10-11H2,1H3/t13-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	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 (Rattus norvegicus (Rat))	BDBM174793 (US10053462, 24 | US9102686, 24 | US9540388, 24) Show SMILES Cc1cccc(n1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,THB:19:18:10.17.16:14.12.13| Show InChI InChI=1S/C22H19ClF3N5O/c1-12-5-2-9-16(27-12)19-28-29-20-17-10-3-6-13(11-30(19)20)31(17)21(32)14-7-4-8-15(18(14)23)22(24,25)26/h2,4-5,7-9,13,17H,3,6,10-11H2,1H3/t13-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Ca.sup.2+flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Me...				US Patent US9102686 (2015) BindingDB Entry DOI: 10.7270/Q22V2DXP
					More data for this Ligand-Target Pair