Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'sriraman' and Initial = 'v'   

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))	BDBM50510530 (CHEMBL4449293) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCC(C2)N(C)C)C1 |r| Show InChI InChI=1S/C24H33ClN4O2/c1-16-5-4-11-24(31,13-16)15-26-23(30)22-18-6-9-21(27-20(18)8-7-19(22)25)29-12-10-17(14-29)28(2)3/h6-9,16-17,31H,4-5,10-15H2,1-3H3,(H,26,30)/t16-,17?,24+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510513 (CHEMBL4531148) Show SMILES C[C@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@@H](F)C2)C1 |r| Show InChI InChI=1S/C22H27ClFN3O2/c1-14-3-2-9-22(29,11-14)13-25-21(28)20-16-4-7-19(27-10-8-15(24)12-27)26-18(16)6-5-17(20)23/h4-7,14-15,29H,2-3,8-13H2,1H3,(H,25,28)/t14-,15+,22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510524 (CHEMBL4525220) Show SMILES F[C@@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCCC(F)(F)C3)c(Cl)ccc2n1 |r| Show InChI InChI=1S/C21H23ClF3N3O/c22-16-4-5-17-15(3-6-18(27-17)28-9-7-14(23)12-28)19(16)20(29)26-11-13-2-1-8-21(24,25)10-13/h3-6,13-14H,1-2,7-12H2,(H,26,29)/t13?,14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510530 (CHEMBL4449293) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCC(C2)N(C)C)C1 |r| Show InChI InChI=1S/C24H33ClN4O2/c1-16-5-4-11-24(31,13-16)15-26-23(30)22-18-6-9-21(27-20(18)8-7-19(22)25)29-12-10-17(14-29)28(2)3/h6-9,16-17,31H,4-5,10-15H2,1-3H3,(H,26,30)/t16-,17?,24+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510514 (CHEMBL4453695) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](C2)C(C)(C)O)C1 |r| Show InChI InChI=1S/C25H34ClN3O3/c1-16-5-4-11-25(32,13-16)15-27-23(30)22-18-6-9-21(28-20(18)8-7-19(22)26)29-12-10-17(14-29)24(2,3)31/h6-9,16-17,31-32H,4-5,10-15H2,1-3H3,(H,27,30)/t16-,17-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510529 (CHEMBL4453785) Show SMILES F[C@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 |r| Show InChI InChI=1S/C21H23ClF3N3O/c22-16-2-3-17-15(1-4-18(27-17)28-10-7-14(23)12-28)19(16)20(29)26-11-13-5-8-21(24,25)9-6-13/h1-4,13-14H,5-12H2,(H,26,29)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510519 (CHEMBL4463377) Show SMILES OCCNC1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 Show InChI InChI=1S/C23H29ClF2N4O2/c24-18-2-3-19-17(1-4-20(29-19)30-11-7-16(14-30)27-10-12-31)21(18)22(32)28-13-15-5-8-23(25,26)9-6-15/h1-4,15-16,27,31H,5-14H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510519 (CHEMBL4463377) Show SMILES OCCNC1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 Show InChI InChI=1S/C23H29ClF2N4O2/c24-18-2-3-19-17(1-4-20(29-19)30-11-7-16(14-30)27-10-12-31)21(18)22(32)28-13-15-5-8-23(25,26)9-6-15/h1-4,15-16,27,31H,5-14H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510514 (CHEMBL4453695) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](C2)C(C)(C)O)C1 |r| Show InChI InChI=1S/C25H34ClN3O3/c1-16-5-4-11-25(32,13-16)15-27-23(30)22-18-6-9-21(28-20(18)8-7-19(22)26)29-12-10-17(14-29)24(2,3)31/h6-9,16-17,31-32H,4-5,10-15H2,1-3H3,(H,27,30)/t16-,17-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510516 (CHEMBL4531747) Show SMILES OC1(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](F)C2)CCCC(F)(F)C1 |r| Show InChI InChI=1S/C21H23ClF3N3O2/c22-15-3-4-16-14(2-5-17(27-16)28-9-6-13(23)10-28)18(15)19(29)26-12-20(30)7-1-8-21(24,25)11-20/h2-5,13,30H,1,6-12H2,(H,26,29)/t13-,20?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510523 (CHEMBL4440833) Show SMILES F[C@@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 |r| Show InChI InChI=1S/C21H23ClF3N3O/c22-16-2-3-17-15(1-4-18(27-17)28-10-7-14(23)12-28)19(16)20(29)26-11-13-5-8-21(24,25)9-6-13/h1-4,13-14H,5-12H2,(H,26,29)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510525 (CHEMBL4444631) Show SMILES O[C@@]1(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@@H](F)C2)CCCC(F)(F)C1 |r| Show InChI InChI=1S/C21H23ClF3N3O2/c22-15-3-4-16-14(2-5-17(27-16)28-9-6-13(23)10-28)18(15)19(29)26-12-20(30)7-1-8-21(24,25)11-20/h2-5,13,30H,1,6-12H2,(H,26,29)/t13-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510513 (CHEMBL4531148) Show SMILES C[C@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@@H](F)C2)C1 |r| Show InChI InChI=1S/C22H27ClFN3O2/c1-14-3-2-9-22(29,11-14)13-25-21(28)20-16-4-7-19(27-10-8-15(24)12-27)26-18(16)6-5-17(20)23/h4-7,14-15,29H,2-3,8-13H2,1H3,(H,25,28)/t14-,15+,22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510515 (CHEMBL4579375) Show SMILES COCCOc1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 Show InChI InChI=1S/C20H23ClF2N2O3/c1-27-10-11-28-17-5-2-14-16(25-17)4-3-15(21)18(14)19(26)24-12-13-6-8-20(22,23)9-7-13/h2-5,13H,6-12H2,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510516 (CHEMBL4531747) Show SMILES OC1(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](F)C2)CCCC(F)(F)C1 |r| Show InChI InChI=1S/C21H23ClF3N3O2/c22-15-3-4-16-14(2-5-17(27-16)28-9-6-13(23)10-28)18(15)19(29)26-12-20(30)7-1-8-21(24,25)11-20/h2-5,13,30H,1,6-12H2,(H,26,29)/t13-,20?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510528 (CHEMBL4586004) Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 |r| Show InChI InChI=1S/C23H29ClF2N4O/c1-29(2)16-9-12-30(14-16)20-6-3-17-19(28-20)5-4-18(24)21(17)22(31)27-13-15-7-10-23(25,26)11-8-15/h3-6,15-16H,7-14H2,1-2H3,(H,27,31)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510522 (CHEMBL4472623) Show SMILES CC1(C)OB(OC1(C)C)C1=CCCC1 |t:10| Show InChI InChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)9-7-5-6-8-9/h7H,5-6,8H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510532 (CHEMBL4584977) Show SMILES FC1(F)CCC(CNC(=O)c2c(Cl)ccc3nc(ccc23)C2=CCCC2)CC1 |t:23| Show InChI InChI=1S/C22H23ClF2N2O/c23-17-6-8-19-16(5-7-18(27-19)15-3-1-2-4-15)20(17)21(28)26-13-14-9-11-22(24,25)12-10-14/h3,5-8,14H,1-2,4,9-13H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510525 (CHEMBL4444631) Show SMILES O[C@@]1(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@@H](F)C2)CCCC(F)(F)C1 |r| Show InChI InChI=1S/C21H23ClF3N3O2/c22-15-3-4-16-14(2-5-17(27-16)28-9-6-13(23)10-28)18(15)19(29)26-12-20(30)7-1-8-21(24,25)11-20/h2-5,13,30H,1,6-12H2,(H,26,29)/t13-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510531 (CHEMBL4579740) Show SMILES FC1(F)CCC(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCCC2)CC1 Show InChI InChI=1S/C21H24ClF2N3O/c22-16-4-5-17-15(3-6-18(26-17)27-11-1-2-12-27)19(16)20(28)25-13-14-7-9-21(23,24)10-8-14/h3-6,14H,1-2,7-13H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510528 (CHEMBL4586004) Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 |r| Show InChI InChI=1S/C23H29ClF2N4O/c1-29(2)16-9-12-30(14-16)20-6-3-17-19(28-20)5-4-18(24)21(17)22(31)27-13-15-7-10-23(25,26)11-8-15/h3-6,15-16H,7-14H2,1-2H3,(H,27,31)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510517 (CHEMBL4459986) Show SMILES OCCC1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 Show InChI InChI=1S/C23H28ClF2N3O2/c24-18-2-3-19-17(1-4-20(28-19)29-11-7-16(14-29)8-12-30)21(18)22(31)27-13-15-5-9-23(25,26)10-6-15/h1-4,15-16,30H,5-14H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510518 (CHEMBL4470592) Show SMILES CN(C)[C@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 |r| Show InChI InChI=1S/C23H29ClF2N4O/c1-29(2)16-9-12-30(14-16)20-6-3-17-19(28-20)5-4-18(24)21(17)22(31)27-13-15-7-10-23(25,26)11-8-15/h3-6,15-16H,7-14H2,1-2H3,(H,27,31)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510521 (CHEMBL4460273) Show SMILES OCCNc1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 Show InChI InChI=1S/C19H22ClF2N3O2/c20-14-2-3-15-13(1-4-16(25-15)23-9-10-26)17(14)18(27)24-11-12-5-7-19(21,22)8-6-12/h1-4,12,26H,5-11H2,(H,23,25)(H,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510518 (CHEMBL4470592) Show SMILES CN(C)[C@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 |r| Show InChI InChI=1S/C23H29ClF2N4O/c1-29(2)16-9-12-30(14-16)20-6-3-17-19(28-20)5-4-18(24)21(17)22(31)27-13-15-7-10-23(25,26)11-8-15/h3-6,15-16H,7-14H2,1-2H3,(H,27,31)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510522 (CHEMBL4472623) Show SMILES CC1(C)OB(OC1(C)C)C1=CCCC1 |t:10| Show InChI InChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)9-7-5-6-8-9/h7H,5-6,8H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510521 (CHEMBL4460273) Show SMILES OCCNc1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 Show InChI InChI=1S/C19H22ClF2N3O2/c20-14-2-3-15-13(1-4-16(25-15)23-9-10-26)17(14)18(27)24-11-12-5-7-19(21,22)8-6-12/h1-4,12,26H,5-11H2,(H,23,25)(H,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510527 (CHEMBL4474419) Show SMILES COCCNc1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 Show InChI InChI=1S/C20H24ClF2N3O2/c1-28-11-10-24-17-5-2-14-16(26-17)4-3-15(21)18(14)19(27)25-12-13-6-8-20(22,23)9-7-13/h2-5,13H,6-12H2,1H3,(H,24,26)(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510532 (CHEMBL4584977) Show SMILES FC1(F)CCC(CNC(=O)c2c(Cl)ccc3nc(ccc23)C2=CCCC2)CC1 |t:23| Show InChI InChI=1S/C22H23ClF2N2O/c23-17-6-8-19-16(5-7-18(27-19)15-3-1-2-4-15)20(17)21(28)26-13-14-9-11-22(24,25)12-10-14/h3,5-8,14H,1-2,4,9-13H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510520 (CHEMBL4587723) Show SMILES FC1(F)CCC(CNC(=O)c2c(Cl)ccc3nc(ccc23)C2CCCC2)CC1 Show InChI InChI=1S/C22H25ClF2N2O/c23-17-6-8-19-16(5-7-18(27-19)15-3-1-2-4-15)20(17)21(28)26-13-14-9-11-22(24,25)12-10-14/h5-8,14-15H,1-4,9-13H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510517 (CHEMBL4459986) Show SMILES OCCC1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 Show InChI InChI=1S/C23H28ClF2N3O2/c24-18-2-3-19-17(1-4-20(28-19)29-11-7-16(14-29)8-12-30)21(18)22(31)27-13-15-5-9-23(25,26)10-6-15/h1-4,15-16,30H,5-14H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510523 (CHEMBL4440833) Show SMILES F[C@@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 |r| Show InChI InChI=1S/C21H23ClF3N3O/c22-16-2-3-17-15(1-4-18(27-17)28-10-7-14(23)12-28)19(16)20(29)26-11-13-5-8-21(24,25)9-6-13/h1-4,13-14H,5-12H2,(H,26,29)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510531 (CHEMBL4579740) Show SMILES FC1(F)CCC(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCCC2)CC1 Show InChI InChI=1S/C21H24ClF2N3O/c22-16-4-5-17-15(3-6-18(26-17)27-11-1-2-12-27)19(16)20(28)25-13-14-7-9-21(23,24)10-8-14/h3-6,14H,1-2,7-13H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510529 (CHEMBL4453785) Show SMILES F[C@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 |r| Show InChI InChI=1S/C21H23ClF3N3O/c22-16-2-3-17-15(1-4-18(27-17)28-10-7-14(23)12-28)19(16)20(29)26-11-13-5-8-21(24,25)9-6-13/h1-4,13-14H,5-12H2,(H,26,29)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510524 (CHEMBL4525220) Show SMILES F[C@@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCCC(F)(F)C3)c(Cl)ccc2n1 |r| Show InChI InChI=1S/C21H23ClF3N3O/c22-16-4-5-17-15(3-6-18(27-17)28-9-7-14(23)12-28)19(16)20(29)26-11-13-2-1-8-21(24,25)10-13/h3-6,13-14H,1-2,7-12H2,(H,26,29)/t13?,14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50510514 (CHEMBL4453695) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](C2)C(C)(C)O)C1 |r| Show InChI InChI=1S/C25H34ClN3O3/c1-16-5-4-11-25(32,13-16)15-27-23(30)22-18-6-9-21(28-20(18)8-7-19(22)26)29-12-10-17(14-29)24(2,3)31/h6-9,16-17,31-32H,4-5,10-15H2,1-3H3,(H,27,30)/t16-,17-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye an...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510515 (CHEMBL4579375) Show SMILES COCCOc1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 Show InChI InChI=1S/C20H23ClF2N2O3/c1-27-10-11-28-17-5-2-14-16(25-17)4-3-15(21)18(14)19(26)24-12-13-6-8-20(22,23)9-7-13/h2-5,13H,6-12H2,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510520 (CHEMBL4587723) Show SMILES FC1(F)CCC(CNC(=O)c2c(Cl)ccc3nc(ccc23)C2CCCC2)CC1 Show InChI InChI=1S/C22H25ClF2N2O/c23-17-6-8-19-16(5-7-18(27-19)15-3-1-2-4-15)20(17)21(28)26-13-14-9-11-22(24,25)12-10-14/h5-8,14-15H,1-4,9-13H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510527 (CHEMBL4474419) Show SMILES COCCNc1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 Show InChI InChI=1S/C20H24ClF2N3O2/c1-28-11-10-24-17-5-2-14-16(26-17)4-3-15(21)18(14)19(27)25-12-13-6-8-20(22,23)9-7-13/h2-5,13H,6-12H2,1H3,(H,24,26)(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510526 (CHEMBL4519645) Show SMILES FC1(F)CCC(CNC(=O)c2c(Cl)ccc3ncccc23)CC1 Show InChI InChI=1S/C17H17ClF2N2O/c18-13-3-4-14-12(2-1-9-21-14)15(13)16(23)22-10-11-5-7-17(19,20)8-6-11/h1-4,9,11H,5-8,10H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510526 (CHEMBL4519645) Show SMILES FC1(F)CCC(CNC(=O)c2c(Cl)ccc3ncccc23)CC1 Show InChI InChI=1S/C17H17ClF2N2O/c18-13-3-4-14-12(2-1-9-21-14)15(13)16(23)22-10-11-5-7-17(19,20)8-6-11/h1-4,9,11H,5-8,10H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50510530 (CHEMBL4449293) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCC(C2)N(C)C)C1 |r| Show InChI InChI=1S/C24H33ClN4O2/c1-16-5-4-11-24(31,13-16)15-26-23(30)22-18-6-9-21(27-20(18)8-7-19(22)25)29-12-10-17(14-29)28(2)3/h6-9,16-17,31H,4-5,10-15H2,1-3H3,(H,26,30)/t16-,17?,24+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	549	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye an...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50510513 (CHEMBL4531148) Show SMILES C[C@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@@H](F)C2)C1 |r| Show InChI InChI=1S/C22H27ClFN3O2/c1-14-3-2-9-22(29,11-14)13-25-21(28)20-16-4-7-19(27-10-8-15(24)12-27)26-18(16)6-5-17(20)23/h4-7,14-15,29H,2-3,8-13H2,1H3,(H,25,28)/t14-,15+,22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye an...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50510513 (CHEMBL4531148) Show SMILES C[C@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@@H](F)C2)C1 |r| Show InChI InChI=1S/C22H27ClFN3O2/c1-14-3-2-9-22(29,11-14)13-25-21(28)20-16-4-7-19(27-10-8-15(24)12-27)26-18(16)6-5-17(20)23/h4-7,14-15,29H,2-3,8-13H2,1H3,(H,25,28)/t14-,15+,22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at mouse P2X7 receptor assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye ...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50510524 (CHEMBL4525220) Show SMILES F[C@@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCCC(F)(F)C3)c(Cl)ccc2n1 |r| Show InChI InChI=1S/C21H23ClF3N3O/c22-16-4-5-17-15(3-6-18(27-17)28-9-7-14(23)12-28)19(16)20(29)26-11-13-2-1-8-21(24,25)10-13/h3-6,13-14H,1-2,7-12H2,(H,26,29)/t13?,14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at mouse P2X7 receptor assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye ...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50510530 (CHEMBL4449293) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCC(C2)N(C)C)C1 |r| Show InChI InChI=1S/C24H33ClN4O2/c1-16-5-4-11-24(31,13-16)15-26-23(30)22-18-6-9-21(27-20(18)8-7-19(22)25)29-12-10-17(14-29)28(2)3/h6-9,16-17,31H,4-5,10-15H2,1-3H3,(H,26,30)/t16-,17?,24+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at mouse P2X7 receptor assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye ...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50510529 (CHEMBL4453785) Show SMILES F[C@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 |r| Show InChI InChI=1S/C21H23ClF3N3O/c22-16-2-3-17-15(1-4-18(27-17)28-10-7-14(23)12-28)19(16)20(29)26-11-13-5-8-21(24,25)9-6-13/h1-4,13-14H,5-12H2,(H,26,29)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at mouse P2X7 receptor assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye ...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50510514 (CHEMBL4453695) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](C2)C(C)(C)O)C1 |r| Show InChI InChI=1S/C25H34ClN3O3/c1-16-5-4-11-25(32,13-16)15-27-23(30)22-18-6-9-21(28-20(18)8-7-19(22)26)29-12-10-17(14-29)24(2,3)31/h6-9,16-17,31-32H,4-5,10-15H2,1-3H3,(H,27,30)/t16-,17-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at mouse P2X7 receptor assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye ...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50510525 (CHEMBL4444631) Show SMILES O[C@@]1(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@@H](F)C2)CCCC(F)(F)C1 |r| Show InChI InChI=1S/C21H23ClF3N3O2/c22-15-3-4-16-14(2-5-17(27-16)28-9-6-13(23)10-28)18(15)19(29)26-12-20(30)7-1-8-21(24,25)11-20/h2-5,13,30H,1,6-12H2,(H,26,29)/t13-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye an...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50510525 (CHEMBL4444631) Show SMILES O[C@@]1(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@@H](F)C2)CCCC(F)(F)C1 |r| Show InChI InChI=1S/C21H23ClF3N3O2/c22-15-3-4-16-14(2-5-17(27-16)28-9-6-13(23)10-28)18(15)19(29)26-12-20(30)7-1-8-21(24,25)11-20/h2-5,13,30H,1,6-12H2,(H,26,29)/t13-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at mouse P2X7 receptor assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye ...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033 BindingDB Entry DOI: 10.7270/Q2GM8BNV
					More data for this Ligand-Target Pair

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