Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50234969'   

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))	BDBM50234969 (CHEMBL402832 | N'-cyano-4-(2-(3,4-dimethoxyphenyl)...) Show SMILES COc1ccc(CC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:25.27| Show InChI InChI=1S/C29H31N5O3/c1-21-9-7-8-12-24(21)32-29(31-20-30)33-15-16-34(25(19-33)23-10-5-4-6-11-23)28(35)18-22-13-14-26(36-2)27(17-22)37-3/h4-14,17,25H,15-16,18-19H2,1-3H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 2093-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.094 BindingDB Entry DOI: 10.7270/Q2HH6KXV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50234969 (CHEMBL402832 | N'-cyano-4-(2-(3,4-dimethoxyphenyl)...) Show SMILES COc1ccc(CC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:25.27| Show InChI InChI=1S/C29H31N5O3/c1-21-9-7-8-12-24(21)32-29(31-20-30)33-15-16-34(25(19-33)23-10-5-4-6-11-23)28(35)18-22-13-14-26(36-2)27(17-22)37-3/h4-14,17,25H,15-16,18-19H2,1-3H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 2093-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.094 BindingDB Entry DOI: 10.7270/Q2HH6KXV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50234969 (CHEMBL402832 | N'-cyano-4-(2-(3,4-dimethoxyphenyl)...) Show SMILES COc1ccc(CC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:25.27| Show InChI InChI=1S/C29H31N5O3/c1-21-9-7-8-12-24(21)32-29(31-20-30)33-15-16-34(25(19-33)23-10-5-4-6-11-23)28(35)18-22-13-14-26(36-2)27(17-22)37-3/h4-14,17,25H,15-16,18-19H2,1-3H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 2093-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.094 BindingDB Entry DOI: 10.7270/Q2HH6KXV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50234969 (CHEMBL402832 | N'-cyano-4-(2-(3,4-dimethoxyphenyl)...) Show SMILES COc1ccc(CC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:25.27| Show InChI InChI=1S/C29H31N5O3/c1-21-9-7-8-12-24(21)32-29(31-20-30)33-15-16-34(25(19-33)23-10-5-4-6-11-23)28(35)18-22-13-14-26(36-2)27(17-22)37-3/h4-14,17,25H,15-16,18-19H2,1-3H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234969 (CHEMBL402832 | N'-cyano-4-(2-(3,4-dimethoxyphenyl)...) Show SMILES COc1ccc(CC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:25.27| Show InChI InChI=1S/C29H31N5O3/c1-21-9-7-8-12-24(21)32-29(31-20-30)33-15-16-34(25(19-33)23-10-5-4-6-11-23)28(35)18-22-13-14-26(36-2)27(17-22)37-3/h4-14,17,25H,15-16,18-19H2,1-3H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 3848-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.055 BindingDB Entry DOI: 10.7270/Q23F4PFN
					More data for this Ligand-Target Pair