Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50001389   

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))	BDBM50277559 (CHEMBL4162056) Show SMILES CCOCc1cn(nn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H12ClN3O/c1-2-16-8-10-7-15(14-13-10)11-5-3-9(12)4-6-11/h3-7H,2,8H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 10...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277551 (A-839977 | CHEMBL1628691) Show SMILES Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1 Show InChI InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50277551 (A-839977 | CHEMBL1628691) Show SMILES Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1 Show InChI InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277551 (A-839977 | CHEMBL1628691) Show SMILES Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1 Show InChI InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced platelet aggregation in human whole blood				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277551 (A-839977 | CHEMBL1628691) Show SMILES Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1 Show InChI InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced platelet aggregation in human whole blood				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277551 (A-839977 | CHEMBL1628691) Show SMILES Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1 Show InChI InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced contraction of rat isolated thoracic aortic strip				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277559 (CHEMBL4162056) Show SMILES CCOCc1cn(nn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H12ClN3O/c1-2-16-8-10-7-15(14-13-10)11-5-3-9(12)4-6-11/h3-7H,2,8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of BzATP-induced current at holding potential of -6...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50234965 (A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of BzATP-induced current at holding potential of -6...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277559 (CHEMBL4162056) Show SMILES CCOCc1cn(nn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H12ClN3O/c1-2-16-8-10-7-15(14-13-10)11-5-3-9(12)4-6-11/h3-7H,2,8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of BzATP-induced ethidium iodide uptake after 30 mi...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50234965 (A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced contraction of rat isolated thoracic aortic strip				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277559 (CHEMBL4162056) Show SMILES CCOCc1cn(nn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H12ClN3O/c1-2-16-8-10-7-15(14-13-10)11-5-3-9(12)4-6-11/h3-7H,2,8H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277559 (CHEMBL4162056) Show SMILES CCOCc1cn(nn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H12ClN3O/c1-2-16-8-10-7-15(14-13-10)11-5-3-9(12)4-6-11/h3-7H,2,8H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced IL-1beta release preincubated for 30 mins ...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277559 (CHEMBL4162056) Show SMILES CCOCc1cn(nn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H12ClN3O/c1-2-16-8-10-7-15(14-13-10)11-5-3-9(12)4-6-11/h3-7H,2,8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced contraction of rat isolated thoracic aortic strip				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277552 (CHEMBL4176461) Show SMILES OCc1cnn(n1)-c1ccccc1 Show InChI InChI=1S/C9H9N3O/c13-7-8-6-10-12(11-8)9-4-2-1-3-5-9/h1-6,13H,7H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of ATP-induced current at holding potential of -60 ...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Evaluated for the antagonistic activity against Serotonin 5-hydroxytryptamine 4 receptor in non-electrically stimulated guinea-pig ileum.				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277559 (CHEMBL4162056) Show SMILES CCOCc1cn(nn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H12ClN3O/c1-2-16-8-10-7-15(14-13-10)11-5-3-9(12)4-6-11/h3-7H,2,8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of ATP-induced propidium iodide uptake after 25 min...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced platelet aggregation in human whole blood				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277559 (CHEMBL4162056) Show SMILES CCOCc1cn(nn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H12ClN3O/c1-2-16-8-10-7-15(14-13-10)11-5-3-9(12)4-6-11/h3-7H,2,8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced contraction of rat isolated thoracic aortic strip				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277552 (CHEMBL4176461) Show SMILES OCc1cnn(n1)-c1ccccc1 Show InChI InChI=1S/C9H9N3O/c13-7-8-6-10-12(11-8)9-4-2-1-3-5-9/h1-6,13H,7H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced contraction of rat isolated thoracic aortic strip				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277550 (CHEMBL4161422) Show SMILES CCCCCCCCCC(=O)OCc1cn(nn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H26ClN3O2/c1-2-3-4-5-6-7-8-9-19(24)25-15-17-14-23(22-21-17)18-12-10-16(20)11-13-18/h10-14H,2-9,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced platelet aggregation in human whole blood				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277549 (CHEMBL1823297) Show SMILES O=Cc1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C9H7N3O/c13-7-8-6-12(11-10-8)9-4-2-1-3-5-9/h1-7H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced contraction of rat isolated thoracic aortic strip				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277550 (CHEMBL4161422) Show SMILES CCCCCCCCCC(=O)OCc1cn(nn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H26ClN3O2/c1-2-3-4-5-6-7-8-9-19(24)25-15-17-14-23(22-21-17)18-12-10-16(20)11-13-18/h10-14H,2-9,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of ATP-induced propidium iodide uptake after 25 min...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277550 (CHEMBL4161422) Show SMILES CCCCCCCCCC(=O)OCc1cn(nn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H26ClN3O2/c1-2-3-4-5-6-7-8-9-19(24)25-15-17-14-23(22-21-17)18-12-10-16(20)11-13-18/h10-14H,2-9,15H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced contraction of rat isolated thoracic aortic strip				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277548 (CHEMBL4173394) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-c1ccc(-[#7]-c2ccc(cc2)-[#6](=[#6]-2\[#6]=[#6]/[#6](/[#6]=[#6]-2-[#6])=[#7+](/[#6]-[#6])-[#6]-c2cccc(c2)S([#8-])(=O)=O)\c2ccc(cc2-[#6])-[#7](-[#6]-[#6])-[#6]-c2cccc(c2)S([#8-])(=O)=O)cc1 |c:17,20| Show InChI InChI=1S/C47H49N3O7S2/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56)/p-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of ATP-induced current at holding potential of -60 ...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50234965 (A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277549 (CHEMBL1823297) Show SMILES O=Cc1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C9H7N3O/c13-7-8-6-12(11-10-8)9-4-2-1-3-5-9/h1-7H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of ATP-induced propidium iodide uptake after 25 min...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277587 (CHEMBL4166558) Show SMILES CCCCOCc1cn(nn1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H15Cl2N3O/c1-2-3-6-19-9-11-8-18(17-16-11)13-7-10(14)4-5-12(13)15/h4-5,7-8H,2-3,6,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277587 (CHEMBL4166558) Show SMILES CCCCOCc1cn(nn1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H15Cl2N3O/c1-2-3-6-19-9-11-8-18(17-16-11)13-7-10(14)4-5-12(13)15/h4-5,7-8H,2-3,6,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	317	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277561 (CHEMBL1823287) Show SMILES COc1ccc(cc1)-n1cc(CO)nn1 Show InChI InChI=1S/C10H11N3O2/c1-15-10-4-2-9(3-5-10)13-6-8(7-14)11-12-13/h2-6,14H,7H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	341	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of ATP-induced current at holding potential of -60 ...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277548 (CHEMBL4173394) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-c1ccc(-[#7]-c2ccc(cc2)-[#6](=[#6]-2\[#6]=[#6]/[#6](/[#6]=[#6]-2-[#6])=[#7+](/[#6]-[#6])-[#6]-c2cccc(c2)S([#8-])(=O)=O)\c2ccc(cc2-[#6])-[#7](-[#6]-[#6])-[#6]-c2cccc(c2)S([#8-])(=O)=O)cc1 |c:17,20| Show InChI InChI=1S/C47H49N3O7S2/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56)/p-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	343	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced platelet aggregation in human whole blood				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277560 (CHEMBL4161877) Show SMILES O\N=C\c1cnn(n1)-c1ccccc1 Show InChI InChI=1S/C9H8N4O/c14-11-7-8-6-10-13(12-8)9-4-2-1-3-5-9/h1-7,14H/b11-7+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	349	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of ATP-induced propidium iodide uptake after 25 min...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277548 (CHEMBL4173394) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-c1ccc(-[#7]-c2ccc(cc2)-[#6](=[#6]-2\[#6]=[#6]/[#6](/[#6]=[#6]-2-[#6])=[#7+](/[#6]-[#6])-[#6]-c2cccc(c2)S([#8-])(=O)=O)\c2ccc(cc2-[#6])-[#7](-[#6]-[#6])-[#6]-c2cccc(c2)S([#8-])(=O)=O)cc1 |c:17,20| Show InChI InChI=1S/C47H49N3O7S2/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56)/p-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	407	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced platelet aggregation in human whole blood				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277548 (CHEMBL4173394) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-c1ccc(-[#7]-c2ccc(cc2)-[#6](=[#6]-2\[#6]=[#6]/[#6](/[#6]=[#6]-2-[#6])=[#7+](/[#6]-[#6])-[#6]-c2cccc(c2)S([#8-])(=O)=O)\c2ccc(cc2-[#6])-[#7](-[#6]-[#6])-[#6]-c2cccc(c2)S([#8-])(=O)=O)cc1 |c:17,20| Show InChI InChI=1S/C47H49N3O7S2/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56)/p-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	432	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Compound was evaluated to inactivate the bacterial AdoMet-DC; value ranges from 3.8 to 39.6 uM				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277560 (CHEMBL4161877) Show SMILES O\N=C\c1cnn(n1)-c1ccccc1 Show InChI InChI=1S/C9H8N4O/c14-11-7-8-6-10-13(12-8)9-4-2-1-3-5-9/h1-7,14H/b11-7+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	457	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of ATP-induced current at holding potential of -60 ...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277549 (CHEMBL1823297) Show SMILES O=Cc1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C9H7N3O/c13-7-8-6-12(11-10-8)9-4-2-1-3-5-9/h1-7H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	478	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 10...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277561 (CHEMBL1823287) Show SMILES COc1ccc(cc1)-n1cc(CO)nn1 Show InChI InChI=1S/C10H11N3O2/c1-15-10-4-2-9(3-5-10)13-6-8(7-14)11-12-13/h2-6,14H,7H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	488	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of ATP-induced propidium iodide uptake after 25 min...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277552 (CHEMBL4176461) Show SMILES OCc1cnn(n1)-c1ccccc1 Show InChI InChI=1S/C9H9N3O/c13-7-8-6-10-12(11-8)9-4-2-1-3-5-9/h1-6,13H,7H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	522	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 10...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277548 (CHEMBL4173394) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-c1ccc(-[#7]-c2ccc(cc2)-[#6](=[#6]-2\[#6]=[#6]/[#6](/[#6]=[#6]-2-[#6])=[#7+](/[#6]-[#6])-[#6]-c2cccc(c2)S([#8-])(=O)=O)\c2ccc(cc2-[#6])-[#7](-[#6]-[#6])-[#6]-c2cccc(c2)S([#8-])(=O)=O)cc1 |c:17,20| Show InChI InChI=1S/C47H49N3O7S2/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56)/p-1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	552	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced contraction of rat isolated thoracic aortic strip				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277587 (CHEMBL4166558) Show SMILES CCCCOCc1cn(nn1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H15Cl2N3O/c1-2-3-6-19-9-11-8-18(17-16-11)13-7-10(14)4-5-12(13)15/h4-5,7-8H,2-3,6,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	621	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277560 (CHEMBL4161877) Show SMILES O\N=C\c1cnn(n1)-c1ccccc1 Show InChI InChI=1S/C9H8N4O/c14-11-7-8-6-10-13(12-8)9-4-2-1-3-5-9/h1-7,14H/b11-7+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	897	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 10...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277561 (CHEMBL1823287) Show SMILES COc1ccc(cc1)-n1cc(CO)nn1 Show InChI InChI=1S/C10H11N3O2/c1-15-10-4-2-9(3-5-10)13-6-8(7-14)11-12-13/h2-6,14H,7H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	932	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 10...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair