Compile Data Set for Download or QSAR

Found 2250 hits Enz. Inhib. hit(s) with all data for entry = 398   

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 (Homo sapiens (Human))	BDBM266955 (US9718790, I-2701) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nn3)C(=O)OC)cc2)n(C[C@H]2CC[C@H](C)CC2)c1=O |r,wU:27.28,wD:30.32,(6,-1.15,;4.67,-.38,;3.33,-1.15,;2,-.38,;2,1.15,;.67,-1.15,;.67,-2.69,;-.67,-3.47,;-2,-2.69,;-3.33,-3.47,;-4.67,-2.69,;-4.67,-1.15,;-6,-.38,;-6,1.15,;-7.34,1.93,;-7.34,3.47,;-6,4.23,;-4.67,3.47,;-4.67,1.93,;-6,5.78,;-7.34,6.54,;-4.67,6.54,;-4.67,8.08,;-3.33,-.38,;-2,-1.15,;2,-3.47,;2,-5,;3.33,-5.78,;4.67,-5,;6,-5.78,;6,-7.31,;7.34,-8.08,;4.67,-8.08,;3.33,-7.31,;3.33,-2.69,;4.67,-3.47,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266044 (US9718790, I-2105) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H22ClN5O5/c1-3-30-24(33)29-23(31(25(30)34)15-16-4-6-17(26)7-5-16)28-18-8-10-19(11-9-18)36-20-12-13-21(27-14-20)22(32)35-2/h4-14H,3,15H2,1-2H3,(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266068 (US9718790, I-2113) Show SMILES COC(=O)c1cc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(CCOC3CCCCO3)c(=O)n2Cc2ccc(Cl)cc2)no1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266086 (US9718790, I-2119) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(N)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C24H21ClN6O4/c1-2-30-23(33)29-22(31(24(30)34)14-15-3-5-16(25)6-4-15)28-17-7-9-18(10-8-17)35-19-11-12-20(21(26)32)27-13-19/h3-13H,2,14H2,1H3,(H2,26,32)(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266170 (US9718790, I-2157) Show SMILES CCCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C26H24ClN5O5/c1-3-14-31-25(34)30-24(32(26(31)35)16-17-4-6-18(27)7-5-17)29-19-8-10-20(11-9-19)37-21-12-13-22(28-15-21)23(33)36-2/h4-13,15H,3,14,16H2,1-2H3,(H,29,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266215 (US9718790, I-2172) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)[N+]([O-])=O)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H19ClN6O5/c1-2-28-22(31)27-21(29(23(28)32)14-15-3-5-16(24)6-4-15)26-17-7-9-18(10-8-17)35-19-11-12-20(25-13-19)30(33)34/h3-13H,2,14H2,1H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266248 (US9718790, I-2183) Show SMILES CCc1nc2ccc(cc2s1)\N=c1/[nH]c(=O)n(CCCCC(=O)OC)c(=O)n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C25H26ClN5O4S/c1-3-21-28-19-12-11-18(14-20(19)36-21)27-23-29-24(33)30(13-5-4-6-22(32)35-2)25(34)31(23)15-16-7-9-17(26)10-8-16/h7-12,14H,3-6,13,15H2,1-2H3,(H,27,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266301 (US9718790, I-2203) Show SMILES CCCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(N)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H23ClN6O4/c1-2-13-31-24(34)30-23(32(25(31)35)15-16-3-5-17(26)6-4-16)29-18-7-9-19(10-8-18)36-20-11-12-21(22(27)33)28-14-20/h3-12,14H,2,13,15H2,1H3,(H2,27,33)(H,29,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266411 (US9718790, I-2241) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(NC(C)=O)nc3)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H23ClN6O4/c1-3-31-24(34)30-23(32(25(31)35)15-17-4-6-18(26)7-5-17)29-19-8-10-20(11-9-19)36-21-12-13-22(27-14-21)28-16(2)33/h4-14H,3,15H2,1-2H3,(H,27,28,33)(H,29,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266536 (US9718790, I-2288) Show SMILES Clc1ccc(Cn2c(=O)n(CCOC3CCCCO3)c(=O)[nH]\c2=N/c2ccc(Oc3ccon3)cc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266712 (US9718790, I-2446) Show SMILES C[C@H]1CC[C@H](Cn2c(=O)n(C)c(=O)[nH]\c2=N/c2ccc(Oc3cccc(n3)C#N)cc2)CC1 |r,wU:4.4,wD:1.0,(8.67,-6.55,;7.34,-5.78,;7.34,-4.24,;6,-3.47,;4.67,-4.24,;3.33,-3.47,;3.33,-1.93,;4.67,-1.16,;6,-1.93,;4.67,.38,;6,1.15,;3.33,1.15,;3.33,2.69,;2,.38,;2,-1.16,;.67,-1.93,;-.67,-1.16,;-.67,.38,;-2,1.15,;-3.33,.38,;-4.67,1.15,;-4.67,2.69,;-3.33,3.46,;-3.33,5,;-4.67,5.77,;-6,5,;-6,3.46,;-7.34,5.78,;-8.67,6.55,;-3.33,-1.16,;-2,-1.93,;4.67,-5.78,;6,-6.55,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266736 (US9718790, I-2470) Show SMILES Clc1ccc(Cn2c(=O)n(CCOC3CCCCO3)c(=O)[nH]\c2=N/c2ccc(Oc3ccsn3)cc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266759 (US9718790, I-2494) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C#N)cc2)n(C[C@H]2CC[C@H](C)CC2)c1=O |r,wU:25.26,wD:28.30,(7.33,.38,;6,1.15,;4.67,.38,;3.33,1.15,;3.33,2.69,;2,.38,;2,-1.16,;.67,-1.93,;-.67,-1.16,;-2,-1.93,;-3.33,-1.16,;-3.33,.38,;-4.67,1.15,;-4.67,2.69,;-3.33,3.47,;-3.33,5,;-4.67,5.77,;-6,5,;-6,3.47,;-7.34,5.78,;-8.67,6.55,;-2,1.15,;-.67,.38,;3.33,-1.93,;3.33,-3.47,;4.67,-4.24,;6,-3.47,;7.33,-4.24,;7.33,-5.78,;8.67,-6.55,;6,-6.55,;4.67,-5.78,;4.67,-1.16,;6,-1.93,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266762 (US9718790, I-2497) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C(N)=O)cc2)n(C[C@H]2CC[C@H](C)CC2)c1=O |r,wU:26.27,wD:29.31,(7.34,,;6,.77,;4.67,,;3.33,.77,;3.33,2.31,;2,,;2,-1.54,;.67,-2.31,;-.67,-1.54,;-.67,,;-2,.77,;-3.33,,;-4.67,.77,;-4.67,2.31,;-3.33,3.08,;-3.33,4.62,;-4.67,5.39,;-6,4.62,;-6,3.08,;-7.34,5.39,;-8.67,4.62,;-7.34,6.93,;-3.33,-1.54,;-2,-2.31,;3.33,-2.31,;3.33,-3.85,;4.67,-4.62,;6,-3.85,;7.34,-4.62,;7.34,-6.16,;8.67,-6.93,;6,-6.93,;4.67,-6.16,;4.67,-1.54,;6,-2.31,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266855 (US9718790, I-2593) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C(=O)NC#N)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H20ClN7O4/c1-2-32-24(35)31-23(33(25(32)36)14-16-6-8-17(26)9-7-16)29-18-10-12-19(13-11-18)37-21-5-3-4-20(30-21)22(34)28-15-27/h3-13H,2,14H2,1H3,(H,28,34)(H,29,31,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM265683 (US9718790, I-1238) Show SMILES CCOC(=O)CCCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccncc3)cc2)n(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C28H29N5O5/c1-3-37-25(34)5-4-18-32-27(35)31-26(33(28(32)36)19-21-8-6-20(2)7-9-21)30-22-10-12-23(13-11-22)38-24-14-16-29-17-15-24/h6-17H,3-5,18-19H2,1-2H3,(H,30,31,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM265705 (US9718790, I-1973) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cc3)-c3ncn[nH]3)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C26H22ClN7O3/c1-2-33-25(35)31-24(34(26(33)36)15-17-3-7-19(27)8-4-17)30-20-9-13-22(14-10-20)37-21-11-5-18(6-12-21)23-28-16-29-32-23/h3-14,16H,2,15H2,1H3,(H,28,29,32)(H,30,31,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266895 (US9718790, I-2636) Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C#N)cc2)n(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C27H24N6O5/c1-18-3-5-19(6-4-18)17-33-25(31-26(35)32(27(33)36)14-13-24(34)37-2)30-21-8-10-22(11-9-21)38-23-12-7-20(15-28)16-29-23/h3-12,16H,13-14,17H2,1-2H3,(H,30,31,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266899 (US9718790, I-2640) Show SMILES Cc1ccc(Cn2c(=O)n(CCCO)c(=O)[nH]\c2=N/c2ccc(Oc3cccc(n3)C#N)cc2)cc1 Show InChI InChI=1S/C26H24N6O4/c1-18-6-8-19(9-7-18)17-32-24(30-25(34)31(26(32)35)14-3-15-33)29-20-10-12-22(13-11-20)36-23-5-2-4-21(16-27)28-23/h2,4-13,33H,3,14-15,17H2,1H3,(H,29,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266909 (US9718790, I-2651) Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3nc(C)ns3)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H21ClN6O5S/c1-14-25-22(36-28-14)35-18-9-7-17(8-10-18)26-20-27-21(32)29(12-11-19(31)34-2)23(33)30(20)13-15-3-5-16(24)6-4-15/h3-10H,11-13H2,1-2H3,(H,26,27,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266923 (US9718790, I-2666) Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C26H21ClN6O5/c1-37-23(34)13-14-32-25(35)31-24(33(26(32)36)16-17-5-7-18(27)8-6-17)30-19-9-11-21(12-10-19)38-22-4-2-3-20(15-28)29-22/h2-12H,13-14,16H2,1H3,(H,30,31,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266936 (US9718790, I-2682) Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C(N)=O)cc2)n(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C27H26N6O6/c1-17-6-8-18(9-7-17)16-33-25(31-26(36)32(27(33)37)15-14-23(34)38-2)29-19-10-12-20(13-11-19)39-22-5-3-4-21(30-22)24(28)35/h3-13H,14-16H2,1-2H3,(H2,28,35)(H,29,31,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266938 (US9718790, I-2684) Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C(N)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C26H23ClN6O6/c1-38-22(34)13-14-32-25(36)31-24(33(26(32)37)15-16-5-7-17(27)8-6-16)29-18-9-11-19(12-10-18)39-21-4-2-3-20(30-21)23(28)35/h2-12H,13-15H2,1H3,(H2,28,35)(H,29,31,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266961 (US9718790, I-2708) Show SMILES Cc1nsc(Oc2ccc(cc2F)\N=c2/[nH]c(=O)n(C[C@H](O)CO)c(=O)n2Cc2ccc(Cl)cc2)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM265753 (US9718790, I-1990) Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc3nc(C)sc3c2)n(CC2CCC(C)CC2)c1=O |(9.96,2.31,;8.62,3.08,;7.29,2.31,;5.96,3.08,;5.96,4.62,;4.62,2.31,;3.29,3.08,;1.95,2.31,;.62,3.08,;.62,4.62,;-.71,2.31,;-.71,.77,;-2.05,,;-3.38,.77,;-3.38,2.31,;-4.71,3.08,;-6.05,2.31,;-7.51,2.79,;-8.42,1.54,;-9.96,1.54,;-7.51,.29,;-6.05,.77,;-4.71,,;.62,,;.62,-1.54,;1.95,-2.31,;1.95,-3.85,;3.29,-4.62,;4.62,-3.85,;5.96,-4.62,;4.62,-2.31,;3.29,-1.54,;1.95,.77,;3.29,,)| Show InChI InChI=1S/C24H31N5O4S/c1-4-33-21(30)11-12-28-23(31)27-22(26-18-9-10-19-20(13-18)34-16(3)25-19)29(24(28)32)14-17-7-5-15(2)6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266047 (US9718790, I-2106) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(=O)OC)cc2)n(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C26H25N5O5/c1-4-30-25(33)29-24(31(26(30)34)16-18-7-5-17(2)6-8-18)28-19-9-11-20(12-10-19)36-21-13-14-22(27-15-21)23(32)35-3/h5-15H,4,16H2,1-3H3,(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266143 (US9718790, I-2148) Show SMILES CCOC(=O)c1cnc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(CC)c(=O)n2Cc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C24H22ClN5O5S/c1-3-29-22(32)28-21(30(24(29)33)14-15-5-7-16(25)8-6-15)27-17-9-11-18(12-10-17)35-23-26-13-19(36-23)20(31)34-4-2/h5-13H,3-4,14H2,1-2H3,(H,27,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266167 (US9718790, I-2156) Show SMILES CCc1nc2ccc(cc2s1)\N=c1/[nH]c(=O)n(CCCCC(=O)OC)c(=O)n1Cc1ccc(C)cc1 Show InChI InChI=1S/C26H29N5O4S/c1-4-22-28-20-13-12-19(15-21(20)36-22)27-24-29-25(33)30(14-6-5-7-23(32)35-3)26(34)31(24)16-18-10-8-17(2)9-11-18/h8-13,15H,4-7,14,16H2,1-3H3,(H,27,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266232 (US9718790, I-1432) Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(O)c3)cc2)n(Cc2ccc(C)cc2)c1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266235 (US9718790, I-1434) Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(O)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C26H24ClN5O6/c1-2-37-23(34)12-14-31-25(35)30-24(32(26(31)36)16-17-3-5-18(27)6-4-17)29-19-7-9-20(10-8-19)38-21-11-13-28-22(33)15-21/h3-11,13,15H,2,12,14,16H2,1H3,(H,28,33)(H,29,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266328 (US9718790, I-2212) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cnc(cn3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C24H21ClN6O5/c1-3-30-23(33)29-22(31(24(30)34)14-15-4-6-16(25)7-5-15)28-17-8-10-18(11-9-17)36-20-13-26-19(12-27-20)21(32)35-2/h4-13H,3,14H2,1-2H3,(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266331 (US9718790, I-2213) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(NC(=O)NC4CC4)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C27H26ClN7O4/c1-2-34-26(37)33-24(35(27(34)38)16-17-3-5-18(28)6-4-17)30-19-9-11-21(12-10-19)39-22-13-14-29-23(15-22)32-25(36)31-20-7-8-20/h3-6,9-15,20H,2,7-8,16H2,1H3,(H,30,33,37)(H2,29,31,32,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266362 (US9718790, I-1480) Show SMILES COC(=O)C1(Cn2c(=O)[nH]\c(=N/c3ccc(OC(C)C)c(C)c3)n(Cc3ccc(Cl)cc3)c2=O)COC1 Show InChI InChI=1S/C26H29ClN4O6/c1-16(2)37-21-10-9-20(11-17(21)3)28-23-29-24(33)31(13-26(14-36-15-26)22(32)35-4)25(34)30(23)12-18-5-7-19(27)8-6-18/h5-11,16H,12-15H2,1-4H3,(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266378 (US9718790, I-2230) Show SMILES CCCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H21ClN6O3/c1-2-13-31-24(33)30-23(32(25(31)34)16-17-3-5-18(26)6-4-17)29-19-7-10-21(11-8-19)35-22-12-9-20(14-27)28-15-22/h3-12,15H,2,13,16H2,1H3,(H,29,30,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266387 (US9718790, I-2233) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cc(F)cc(c3)C(N)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H21ClFN5O4/c1-2-31-24(34)30-23(32(25(31)35)14-15-3-5-17(26)6-4-15)29-19-7-9-20(10-8-19)36-21-12-16(22(28)33)11-18(27)13-21/h3-13H,2,14H2,1H3,(H2,28,33)(H,29,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266390 (US9718790, I-2234) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(C(N)=O)c(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H21ClFN5O4/c1-2-31-24(34)30-23(32(25(31)35)14-15-3-5-16(26)6-4-15)29-17-7-9-18(10-8-17)36-19-11-12-20(22(28)33)21(27)13-19/h3-13H,2,14H2,1H3,(H2,28,33)(H,29,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266437 (US9718790, I-1506) Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc3nc(CC)sc3c2)n(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C25H27N5O4S/c1-4-21-27-19-11-10-18(14-20(19)35-21)26-23-28-24(32)29(13-12-22(31)34-5-2)25(33)30(23)15-17-8-6-16(3)7-9-17/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,26,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266473 (US9718790, I-1518) Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc3nc(C)sc3c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H22ClN5O4S/c1-3-33-20(30)10-11-28-22(31)27-21(26-17-8-9-18-19(12-17)34-14(2)25-18)29(23(28)32)13-15-4-6-16(24)7-5-15/h4-9,12H,3,10-11,13H2,1-2H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266476 (US9718790, I-1519) Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc3nc(C)sc3c2)n(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C24H25N5O4S/c1-4-33-21(30)11-12-28-23(31)27-22(26-18-9-10-19-20(13-18)34-16(3)25-19)29(24(28)32)14-17-7-5-15(2)6-8-17/h5-10,13H,4,11-12,14H2,1-3H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266478 (US9718790, I-0866) Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C25H29ClN4O5/c1-5-34-22(31)12-13-29-24(32)28-23(27-19-10-11-21(20(26)14-19)35-16(2)3)30(25(29)33)15-18-8-6-17(4)7-9-18/h6-11,14,16H,5,12-13,15H2,1-4H3,(H,27,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266480 (US9718790, I-2269) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nn3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C24H21ClN6O5/c1-3-30-23(33)27-22(31(24(30)34)14-15-4-6-16(25)7-5-15)26-17-8-10-18(11-9-17)36-20-13-12-19(28-29-20)21(32)35-2/h4-13H,3,14H2,1-2H3,(H,26,27,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266515 (US9718790, I-2281) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cnc(nc3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H18ClN7O3/c1-2-30-22(32)29-21(31(23(30)33)14-15-3-5-16(24)6-4-15)28-17-7-9-18(10-8-17)34-19-12-26-20(11-25)27-13-19/h3-10,12-13H,2,14H2,1H3,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266570 (US9718790, I-2302) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C24H19ClN6O3/c1-2-30-23(32)29-22(31(24(30)33)15-16-6-8-17(25)9-7-16)28-18-10-12-20(13-11-18)34-21-5-3-4-19(14-26)27-21/h3-13H,2,15H2,1H3,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266574 (US9718790, I-2306) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C24H19ClN6O3/c1-2-30-23(32)29-22(31(24(30)33)15-16-3-6-18(25)7-4-16)28-19-8-10-20(11-9-19)34-21-12-5-17(13-26)14-27-21/h3-12,14H,2,15H2,1H3,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266577 (US9718790, I-2309) Show SMILES CNC(=O)c1cc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(C3CC3)c(=O)n2Cc2ccc(Cl)cc2)ccn1 Show InChI InChI=1S/C26H23ClN6O4/c1-28-23(34)22-14-21(12-13-29-22)37-20-10-6-18(7-11-20)30-24-31-25(35)33(19-8-9-19)26(36)32(24)15-16-2-4-17(27)5-3-16/h2-7,10-14,19H,8-9,15H2,1H3,(H,28,34)(H,30,31,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266616 (US9718790, I-2350) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccsn3)cc2)n(C[C@H]2CC[C@H](C)CC2)c1=O |r,wU:22.23,wD:25.27,(5.96,1.13,;4.62,1.9,;3.29,1.13,;1.96,1.9,;1.96,3.44,;.62,1.13,;.62,-.41,;-.71,-1.18,;-2.04,-.41,;-2.04,1.13,;-3.38,1.9,;-4.71,1.13,;-6.05,1.9,;-6.05,3.44,;-4.8,4.34,;-5.28,5.8,;-6.82,5.8,;-7.29,4.34,;-4.71,-.41,;-3.38,-1.18,;1.96,-1.18,;1.96,-2.72,;3.29,-3.49,;4.62,-2.72,;5.96,-3.49,;5.96,-5.03,;7.29,-5.8,;4.62,-5.8,;3.29,-5.03,;3.29,-.41,;4.62,-1.18,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM265448 (US9718790, I-1873) Show SMILES COC(=O)CCCCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C26H31ClN4O5/c1-17(2)36-22-13-12-20(15-21(22)27)28-24-29-25(33)30(14-6-5-7-23(32)35-4)26(34)31(24)16-19-10-8-18(3)9-11-19/h8-13,15,17H,5-7,14,16H2,1-4H3,(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266653 (US9718790, I-2387) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C#N)c(OC)c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H21ClN6O4/c1-3-31-24(33)30-23(32(25(31)34)15-16-7-9-17(26)10-8-16)29-18-11-12-20(21(13-18)35-2)36-22-6-4-5-19(14-27)28-22/h4-13H,3,15H2,1-2H3,(H,29,30,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266691 (US9718790, I-2425) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(NC(=O)NC)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H24ClN7O4/c1-3-32-24(35)31-22(33(25(32)36)15-16-4-6-17(26)7-5-16)29-18-8-10-19(11-9-18)37-20-12-13-28-21(14-20)30-23(34)27-2/h4-14H,3,15H2,1-2H3,(H,29,31,35)(H2,27,28,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266693 (US9718790, I-2427) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cnc(cn3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H18ClN7O3/c1-2-30-22(32)29-21(31(23(30)33)14-15-3-5-16(24)6-4-15)28-17-7-9-19(10-8-17)34-20-13-26-18(11-25)12-27-20/h3-10,12-13H,2,14H2,1H3,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair

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