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SMILES: Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=DJIJTCUGJYMPTQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 254405   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254405 (US10112937, Example 313 | US10150765, Example 313 ...) Show SMILES Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321 N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glu...				US Patent US9464084 (2016) BindingDB Entry DOI: 10.7270/Q27D2T3Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254405 (US10112937, Example 313 | US10150765, Example 313 ...) Show SMILES Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321 N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glu...				US Patent US9464084 (2016) BindingDB Entry DOI: 10.7270/Q27D2T3Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254405 (US10112937, Example 313 | US10150765, Example 313 ...) Show SMILES Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.11E+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 US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254405 (US10112937, Example 313 | US10150765, Example 313 ...) Show SMILES Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.47E+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 US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254405 (US10112937, Example 313 | US10150765, Example 313 ...) Show SMILES Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Antagonist activity at recombinant human P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of Bz-ATP-induced Ca2+ flux preincubate...				J Med Chem 59: 8535-48 (2016) Article DOI: 10.1021/acs.jmedchem.6b00989 BindingDB Entry DOI: 10.7270/Q28K7C1M
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254405 (US10112937, Example 313 | US10150765, Example 313 ...) Show SMILES Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					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...				US Patent US10703749 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254405 (US10112937, Example 313 | US10150765, Example 313 ...) Show SMILES Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	880	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 US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254405 (US10112937, Example 313 | US10150765, Example 313 ...) Show SMILES Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.47E+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 US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254405 (US10112937, Example 313 | US10150765, Example 313 ...) Show SMILES Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.11E+3	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, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high ...				US Patent US10150765 (2018) BindingDB Entry DOI: 10.7270/Q23T9K8V
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254405 (US10112937, Example 313 | US10150765, Example 313 ...) Show SMILES Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.47E+4	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, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high ...				US Patent US10150765 (2018) BindingDB Entry DOI: 10.7270/Q23T9K8V
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254405 (US10112937, Example 313 | US10150765, Example 313 ...) Show SMILES Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US10703749 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254405 (US10112937, Example 313 | US10150765, Example 313 ...) Show SMILES Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of Bz-ATP-induced Ca2+ flux preincubated ...				J Med Chem 59: 8535-48 (2016) Article DOI: 10.1021/acs.jmedchem.6b00989 BindingDB Entry DOI: 10.7270/Q28K7C1M
					More data for this Ligand-Target Pair