Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50041787   

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 3 (RAT)	BDBM50415550 (CHEMBL599760 | Ro-85) Show SMILES C[C@H](CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27N5O2S/c1-15(14-26-9-11-27(12-10-26)16(2)28)23-21(29)19-13-18-20(17-7-5-4-6-8-17)24-25(3)22(18)30-19/h4-8,13,15H,9-12,14H2,1-3H3,(H,23,29)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415553 (CHEMBL605130) Show SMILES CC(CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1F Show InChI InChI=1S/C22H26FN5O2S/c1-14(13-27-8-10-28(11-9-27)15(2)29)24-21(30)19-12-17-20(25-26(3)22(17)31-19)16-6-4-5-7-18(16)23/h4-7,12,14H,8-11,13H2,1-3H3,(H,24,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415601 (CHEMBL598103) Show SMILES CC(CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccc(C)cc1 Show InChI InChI=1S/C23H29N5O2S/c1-15-5-7-18(8-6-15)21-19-13-20(31-23(19)26(4)25-21)22(30)24-16(2)14-27-9-11-28(12-10-27)17(3)29/h5-8,13,16H,9-12,14H2,1-4H3,(H,24,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415574 (CHEMBL597486) Show SMILES CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H29FN6O2/c1-3-5-20-21(33-23(29-20)18-6-8-19(25)9-7-18)22(32)28-17(2)16-30-12-14-31(15-13-30)24-26-10-4-11-27-24/h4,6-11,17H,3,5,12-16H2,1-2H3,(H,28,32)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415599 (CHEMBL604740) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1F Show InChI InChI=1S/C24H26FN7OS/c1-16(15-31-10-12-32(13-11-31)24-26-8-5-9-27-24)28-22(33)20-14-18-21(29-30(2)23(18)34-20)17-6-3-4-7-19(17)25/h3-9,14,16H,10-13,15H2,1-2H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415564 (CHEMBL598728) Show SMILES CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)C(C)=S)-c1ccc(F)cc1 Show InChI InChI=1S/C22H29FN4O2S/c1-4-5-19-20(29-22(25-19)17-6-8-18(23)9-7-17)21(28)24-15(2)14-26-10-12-27(13-11-26)16(3)30/h6-9,15H,4-5,10-14H2,1-3H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415550 (CHEMBL599760 | Ro-85) Show SMILES C[C@H](CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27N5O2S/c1-15(14-26-9-11-27(12-10-26)16(2)28)23-21(29)19-13-18-20(17-7-5-4-6-8-17)24-25(3)22(18)30-19/h4-8,13,15H,9-12,14H2,1-3H3,(H,23,29)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415575 (CHEMBL597485) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cccc(c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H26FN5O/c1-18(17-29-12-14-30(15-13-29)24-26-10-3-11-27-24)28-23(31)21-5-2-4-20(16-21)19-6-8-22(25)9-7-19/h2-11,16,18H,12-15,17H2,1H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415583 (CHEMBL597110) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1 Show InChI InChI=1S/C24H27N7OS/c1-17(16-30-11-13-31(14-12-30)24-25-9-6-10-26-24)27-22(32)20-15-19-21(18-7-4-3-5-8-18)28-29(2)23(19)33-20/h3-10,15,17H,11-14,16H2,1-2H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415563 (CHEMBL605325) Show SMILES CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)c1ncccn1)-c1ccccc1 Show InChI InChI=1S/C24H30N6O2/c1-3-8-20-21(32-23(28-20)19-9-5-4-6-10-19)22(31)27-18(2)17-29-13-15-30(16-14-29)24-25-11-7-12-26-24/h4-7,9-12,18H,3,8,13-17H2,1-2H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415566 (CHEMBL604571) Show SMILES CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)C(C)=O)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H29FN4O3/c1-4-5-19-20(30-22(25-19)17-6-8-18(23)9-7-17)21(29)24-15(2)14-26-10-12-27(13-11-26)16(3)28/h6-9,15H,4-5,10-14H2,1-3H3,(H,24,29)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415578 (CHEMBL603453) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(cc(c1)-c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H29F2N5O/c1-21(20-36-13-15-37(16-14-36)30-33-11-2-12-34-30)35-29(38)26-18-24(22-3-7-27(31)8-4-22)17-25(19-26)23-5-9-28(32)10-6-23/h2-12,17-19,21H,13-16,20H2,1H3,(H,35,38)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50415550 (CHEMBL599760 | Ro-85) Show SMILES C[C@H](CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27N5O2S/c1-15(14-26-9-11-27(12-10-26)16(2)28)23-21(29)19-13-18-20(17-7-5-4-6-8-17)24-25(3)22(18)30-19/h4-8,13,15H,9-12,14H2,1-3H3,(H,23,29)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415593 (CHEMBL599348) Show SMILES CCn1nc(-c2ccccc2)c2cc(sc12)C(=O)NC(C)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C25H29N7OS/c1-3-32-24-20(22(29-32)19-8-5-4-6-9-19)16-21(34-24)23(33)28-18(2)17-30-12-14-31(15-13-30)25-26-10-7-11-27-25/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415577 (CHEMBL597480) Show SMILES CCCc1cc(cc(c1)-c1ccc(F)cc1)C(=O)NC(C)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C27H32FN5O/c1-3-5-21-16-23(22-6-8-25(28)9-7-22)18-24(17-21)26(34)31-20(2)19-32-12-14-33(15-13-32)27-29-10-4-11-30-27/h4,6-11,16-18,20H,3,5,12-15,19H2,1-2H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415576 (CHEMBL597285) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(Br)cc(c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H25BrFN5O/c1-17(16-30-9-11-31(12-10-30)24-27-7-2-8-28-24)29-23(32)20-13-19(14-21(25)15-20)18-3-5-22(26)6-4-18/h2-8,13-15,17H,9-12,16H2,1H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415571 (CHEMBL598498) Show SMILES CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)c1cnccn1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H29FN6O2/c1-3-4-20-22(33-24(29-20)18-5-7-19(25)8-6-18)23(32)28-17(2)16-30-11-13-31(14-12-30)21-15-26-9-10-27-21/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,28,32)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415586 (CHEMBL603254) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1oc(cc1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C28H29N5O2/c1-21(20-32-15-17-33(18-16-32)28-29-13-8-14-30-28)31-27(34)26-24(22-9-4-2-5-10-22)19-25(35-26)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415569 (CHEMBL605156) Show SMILES CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)c1nccs1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H28FN5O2S/c1-3-4-19-20(31-22(27-19)17-5-7-18(24)8-6-17)21(30)26-16(2)15-28-10-12-29(13-11-28)23-25-9-14-32-23/h5-9,14,16H,3-4,10-13,15H2,1-2H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415596 (CHEMBL596814) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C27H29N7O/c1-21(20-32-15-17-33(18-16-32)27-28-13-8-14-29-27)30-26(35)25-19-24(22-9-4-2-5-10-22)31-34(25)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415597 (CHEMBL598729) Show SMILES CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)C(N)=O)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H28FN5O3/c1-3-4-17-18(30-20(25-17)15-5-7-16(22)8-6-15)19(28)24-14(2)13-26-9-11-27(12-10-26)21(23)29/h5-8,14H,3-4,9-13H2,1-2H3,(H2,23,29)(H,24,28)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415587 (CHEMBL598865) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cn(nc1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C27H29N7O/c1-21(19-32-15-17-33(18-16-32)27-28-13-8-14-29-27)30-26(35)24-20-34(23-11-6-3-7-12-23)31-25(24)22-9-4-2-5-10-22/h2-14,20-21H,15-19H2,1H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415588 (CHEMBL605322) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1oc(nc1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C27H28N6O2/c1-20(19-32-15-17-33(18-16-32)27-28-13-8-14-29-27)30-25(34)24-23(21-9-4-2-5-10-21)31-26(35-24)22-11-6-3-7-12-22/h2-14,20H,15-19H2,1H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415581 (CHEMBL597316) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1 Show InChI InChI=1S/C27H29N7O/c1-21(20-32-15-17-33(18-16-32)27-28-13-8-14-29-27)30-26(35)24-19-25(22-9-4-2-5-10-22)34(31-24)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415580 (CHEMBL598471) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(nc(c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C29H30N6O/c1-22(21-34-15-17-35(18-16-34)29-30-13-8-14-31-29)32-28(36)25-19-26(23-9-4-2-5-10-23)33-27(20-25)24-11-6-3-7-12-24/h2-14,19-20,22H,15-18,21H2,1H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415570 (CHEMBL590972) Show SMILES CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)c1ccncn1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H29FN6O2/c1-3-4-20-22(33-24(29-20)18-5-7-19(25)8-6-18)23(32)28-17(2)15-30-11-13-31(14-12-30)21-9-10-26-16-27-21/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,28,32)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415572 (CHEMBL598497) Show SMILES CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)c1ccccn1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H30FN5O2/c1-3-6-21-23(33-25(29-21)19-8-10-20(26)11-9-19)24(32)28-18(2)17-30-13-15-31(16-14-30)22-7-4-5-12-27-22/h4-5,7-12,18H,3,6,13-17H2,1-2H3,(H,28,32)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415584 (CHEMBL591530) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(-c2ccccc2)n(c1C)-c1ccccc1 Show InChI InChI=1S/C29H32N6O/c1-22(21-33-16-18-34(19-17-33)29-30-14-9-15-31-29)32-28(36)26-20-27(24-10-5-3-6-11-24)35(23(26)2)25-12-7-4-8-13-25/h3-15,20,22H,16-19,21H2,1-2H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415592 (CHEMBL599335) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1C Show InChI InChI=1S/C25H29N7OS/c1-17-7-4-5-8-19(17)22-20-15-21(34-24(20)30(3)29-22)23(33)28-18(2)16-31-11-13-32(14-12-31)25-26-9-6-10-27-25/h4-10,15,18H,11-14,16H2,1-3H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415573 (CHEMBL604725) Show SMILES CCCc1nc(oc1C(=O)N[C@@H](C)CN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H29FN6O2/c1-3-5-20-21(33-23(29-20)18-6-8-19(25)9-7-18)22(32)28-17(2)16-30-12-14-31(15-13-30)24-26-10-4-11-27-24/h4,6-11,17H,3,5,12-16H2,1-2H3,(H,28,32)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415595 (CHEMBL602338) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(oc1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C28H29N5O2/c1-21(20-32-15-17-33(18-16-32)28-29-13-8-14-30-28)31-27(34)24-19-25(22-9-4-2-5-10-22)35-26(24)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415555 (CHEMBL597016) Show SMILES CCCc1nc(oc1C(=O)NC(C)CN1CCCN(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H31FN6O2/c1-3-6-21-22(34-24(30-21)19-7-9-20(26)10-8-19)23(33)29-18(2)17-31-13-5-14-32(16-15-31)25-27-11-4-12-28-25/h4,7-12,18H,3,5-6,13-17H2,1-2H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415565 (CHEMBL605346) Show SMILES CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)C(=O)c1ccco1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H29FN4O4/c1-3-5-20-22(34-24(28-20)18-7-9-19(26)10-8-18)23(31)27-17(2)16-29-11-13-30(14-12-29)25(32)21-6-4-15-33-21/h4,6-10,15,17H,3,5,11-14,16H2,1-2H3,(H,27,31)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415585 (CHEMBL601912) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1nc(oc1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C27H28N6O2/c1-20(19-32-15-17-33(18-16-32)27-28-13-8-14-29-27)30-25(34)23-24(21-9-4-2-5-10-21)35-26(31-23)22-11-6-3-7-12-22/h2-14,20H,15-19H2,1H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415579 (CHEMBL597061) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1nc(cc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C28H29N7O/c1-21(20-34-15-17-35(18-16-34)28-29-13-8-14-30-28)31-27(36)26-32-24(22-9-4-2-5-10-22)19-25(33-26)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,31,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415582 (CHEMBL597111) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1oc(nc1C)-c1ccccc1 Show InChI InChI=1S/C22H26N6O2/c1-16(15-27-11-13-28(14-12-27)22-23-9-6-10-24-22)25-20(29)19-17(2)26-21(30-19)18-7-4-3-5-8-18/h3-10,16H,11-15H2,1-2H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415557 (CHEMBL599738) Show SMILES CCCc1nc(oc1C(=O)NCCN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H27FN6O2/c1-2-4-19-20(32-22(28-19)17-5-7-18(24)8-6-17)21(31)25-11-12-29-13-15-30(16-14-29)23-26-9-3-10-27-23/h3,5-10H,2,4,11-16H2,1H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415558 (CHEMBL599739) Show SMILES CCCc1nc(oc1C(=O)NC(CC)CN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H31FN6O2/c1-3-6-21-22(34-24(30-21)18-7-9-19(26)10-8-18)23(33)29-20(4-2)17-31-13-15-32(16-14-31)25-27-11-5-12-28-25/h5,7-12,20H,3-4,6,13-17H2,1-2H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415559 (CHEMBL599757) Show SMILES CCCc1nc(oc1C(=O)N(C)CCN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H29FN6O2/c1-3-5-20-21(33-22(28-20)18-6-8-19(25)9-7-18)23(32)29(2)12-13-30-14-16-31(17-15-30)24-26-10-4-11-27-24/h4,6-11H,3,5,12-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415560 (CHEMBL605126) Show SMILES CCCc1nc(oc1COC(C)CN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H30FN5O2/c1-3-5-21-22(32-23(28-21)19-6-8-20(25)9-7-19)17-31-18(2)16-29-12-14-30(15-13-29)24-26-10-4-11-27-24/h4,6-11,18H,3,5,12-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415561 (CHEMBL597899) Show SMILES CCCc1nc(oc1CNC(C)CN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H31FN6O/c1-3-5-21-22(32-23(29-21)19-6-8-20(25)9-7-19)16-28-18(2)17-30-12-14-31(15-13-30)24-26-10-4-11-27-24/h4,6-11,18,28H,3,5,12-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415562 (CHEMBL604944) Show SMILES CC(CN1CCN(CC1)c1ncccn1)N1Cc2c(C1=O)c(nn2-c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C28H28FN7O/c1-20(18-33-14-16-34(17-15-33)28-30-12-5-13-31-28)35-19-24-25(27(35)37)26(21-6-3-2-4-7-21)32-36(24)23-10-8-22(29)9-11-23/h2-13,20H,14-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50415563 (CHEMBL605325) Show SMILES CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)c1ncccn1)-c1ccccc1 Show InChI InChI=1S/C24H30N6O2/c1-3-8-20-21(32-23(28-20)19-9-5-4-6-10-19)22(31)27-18(2)17-29-13-15-30(16-14-29)24-25-11-7-12-26-24/h4-7,9-12,18H,3,8,13-17H2,1-2H3,(H,27,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at P2X1 receptor				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM50415563 (CHEMBL605325) Show SMILES CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)c1ncccn1)-c1ccccc1 Show InChI InChI=1S/C24H30N6O2/c1-3-8-20-21(32-23(28-20)19-9-5-4-6-10-19)22(31)27-18(2)17-29-13-15-30(16-14-29)24-25-11-7-12-26-24/h4-7,9-12,18H,3,8,13-17H2,1-2H3,(H,27,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at P2X2 receptor				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50415563 (CHEMBL605325) Show SMILES CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)c1ncccn1)-c1ccccc1 Show InChI InChI=1S/C24H30N6O2/c1-3-8-20-21(32-23(28-20)19-9-5-4-6-10-19)22(31)27-18(2)17-29-13-15-30(16-14-29)24-25-11-7-12-26-24/h4-7,9-12,18H,3,8,13-17H2,1-2H3,(H,27,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at P2X4 receptor				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 5 (Homo sapiens (Human))	BDBM50415563 (CHEMBL605325) Show SMILES CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)c1ncccn1)-c1ccccc1 Show InChI InChI=1S/C24H30N6O2/c1-3-8-20-21(32-23(28-20)19-9-5-4-6-10-19)22(31)27-18(2)17-29-13-15-30(16-14-29)24-25-11-7-12-26-24/h4-7,9-12,18H,3,8,13-17H2,1-2H3,(H,27,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at P2X5 receptor				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 6 (Homo sapiens (Human))	BDBM50415563 (CHEMBL605325) Show SMILES CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)c1ncccn1)-c1ccccc1 Show InChI InChI=1S/C24H30N6O2/c1-3-8-20-21(32-23(28-20)19-9-5-4-6-10-19)22(31)27-18(2)17-29-13-15-30(16-14-29)24-25-11-7-12-26-24/h4-7,9-12,18H,3,8,13-17H2,1-2H3,(H,27,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at P2X6 receptor				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50415563 (CHEMBL605325) Show SMILES CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)c1ncccn1)-c1ccccc1 Show InChI InChI=1S/C24H30N6O2/c1-3-8-20-21(32-23(28-20)19-9-5-4-6-10-19)22(31)27-18(2)17-29-13-15-30(16-14-29)24-25-11-7-12-26-24/h4-7,9-12,18H,3,8,13-17H2,1-2H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415567 (CHEMBL600997) Show SMILES CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)c1ccncc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H30FN5O2/c1-3-4-22-23(33-25(29-22)19-5-7-20(26)8-6-19)24(32)28-18(2)17-30-13-15-31(16-14-30)21-9-11-27-12-10-21/h5-12,18H,3-4,13-17H2,1-2H3,(H,28,32)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50415568 (CHEMBL600996) Show SMILES CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)c1ccccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H30FN5O2/c1-3-6-21-23(33-25(29-21)19-8-10-20(26)11-9-19)24(32)28-18(2)17-30-13-15-31(16-14-30)22-7-4-5-12-27-22/h4-5,7-12,18H,3,6,13-17H2,1-2H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair

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