Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM173411'   

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 (Rattus norvegicus (Rat))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	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 US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...				Bioorg Med Chem 17: 5834-56 (2009) BindingDB Entry DOI: 10.7270/Q21Z46SW
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	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 US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.5	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 US9096596 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JC6
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25.1	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 US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25.1	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 US9096596 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JC6
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25.1	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 US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...				Bioorg Med Chem 17: 5834-56 (2009) BindingDB Entry DOI: 10.7270/Q21Z46SW
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.9	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					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...				Bioorg Med Chem 17: 5834-56 (2009) BindingDB Entry DOI: 10.7270/Q21Z46SW
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.9	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, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high gluc...				US Patent US9096596 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JC6
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.9	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 US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.9	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 US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	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 US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	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, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high gluc...				US Patent US9096596 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JC6
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					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...				Bioorg Med Chem 17: 5834-56 (2009) BindingDB Entry DOI: 10.7270/Q21Z46SW
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173411 (US10323032, Example 124 | US9096596, 124 | US96049...) Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1 |r| Show InChI InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	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 US9604982 (2017) BindingDB Entry DOI: 10.7270/Q2B56MTX
					More data for this Ligand-Target Pair