Compile Data Set for Download or QSAR

Found 181 hits Enz. Inhib. hit(s) with all data for entry = 7457   

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))	BDBM196325 (US9212130, I-245) Show SMILES Fc1cncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1 Show InChI InChI=1S/C28H25ClFN5O4/c29-20-3-1-18(2-4-20)17-35-27(37)25(34-26(36)19-9-11-38-12-10-19)16-32-28(35)33-22-5-7-23(8-6-22)39-24-13-21(30)14-31-15-24/h1-8,13-16,19H,9-12,17H2,(H,32,33)(H,34,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196345 (US9212130, I-265) Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)cn1 Show InChI InChI=1S/C29H28ClN5O4/c1-19-2-9-25(16-31-19)39-24-10-7-23(8-11-24)33-29-32-17-26(34-27(36)21-12-14-38-15-13-21)28(37)35(29)18-20-3-5-22(30)6-4-20/h2-11,16-17,21H,12-15,18H2,1H3,(H,32,33)(H,34,36)	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196373 (US9212130, I-295) Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C(C)(C)O)c(=O)n3Cc3ccc(Cl)cc3)cc2)cn1 Show InChI InChI=1S/C27H26ClN5O4/c1-17-4-11-22(14-29-17)37-21-12-9-20(10-13-21)31-26-30-15-23(32-25(35)27(2,3)36)24(34)33(26)16-18-5-7-19(28)8-6-18/h4-15,36H,16H2,1-3H3,(H,30,31)(H,32,35)	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196382 (US9212130, I-304) Show SMILES COC(=O)c1cncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1 Show InChI InChI=1S/C30H28ClN5O6/c1-40-29(39)21-14-25(16-32-15-21)42-24-8-6-23(7-9-24)34-30-33-17-26(35-27(37)20-10-12-41-13-11-20)28(38)36(30)18-19-2-4-22(31)5-3-19/h2-9,14-17,20H,10-13,18H2,1H3,(H,33,34)(H,35,37)	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196324 (US9212130, I-244) Show SMILES Clc1ccc(Cn2c(Nc3ccc(Oc4cc[nH]c(=O)c4)cc3)ncc(NC(=O)C3CCOCC3)c2=O)cc1 Show InChI InChI=1S/C28H26ClN5O5/c29-20-3-1-18(2-4-20)17-34-27(37)24(33-26(36)19-10-13-38-14-11-19)16-31-28(34)32-21-5-7-22(8-6-21)39-23-9-12-30-25(35)15-23/h1-9,12,15-16,19H,10-11,13-14,17H2,(H,30,35)(H,31,32)(H,33,36)	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196431 (US9212130, I-359) Show SMILES OC(=O)c1cccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1 Show InChI InChI=1S/C30H27ClN4O6/c31-22-6-4-19(5-7-22)18-35-28(37)26(34-27(36)20-12-14-40-15-13-20)17-32-30(35)33-23-8-10-24(11-9-23)41-25-3-1-2-21(16-25)29(38)39/h1-11,16-17,20H,12-15,18H2,(H,32,33)(H,34,36)(H,38,39)	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196342 (US9212130, I-262) Show SMILES CCc1nc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2s1 Show InChI InChI=1S/C26H26ClN5O3S/c1-2-23-30-20-8-7-19(13-22(20)36-23)29-26-28-14-21(31-24(33)17-9-11-35-12-10-17)25(34)32(26)15-16-3-5-18(27)6-4-16/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,28,29)(H,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196395 (US9212130, I-317) Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3ccnc(c3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H21ClN4O5/c1-2-29-23(31)14-22(30(25(29)34)15-16-3-5-17(26)6-4-16)28-18-7-9-19(10-8-18)35-20-11-12-27-21(13-20)24(32)33/h3-14,28H,2,15H2,1H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196429 (US9212130, I-357) Show SMILES COC(=O)c1cccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1 Show InChI InChI=1S/C31H29ClN4O6/c1-40-30(39)22-3-2-4-26(17-22)42-25-11-9-24(10-12-25)34-31-33-18-27(35-28(37)21-13-15-41-16-14-21)29(38)36(31)19-20-5-7-23(32)8-6-20/h2-12,17-18,21H,13-16,19H2,1H3,(H,33,34)(H,35,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196391 (US9212130, I-313) Show SMILES Cc1ncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)cc1F Show InChI InChI=1S/C29H27ClFN5O4/c1-18-25(31)14-24(15-32-18)40-23-8-6-22(7-9-23)34-29-33-16-26(35-27(37)20-10-12-39-13-11-20)28(38)36(29)17-19-2-4-21(30)5-3-19/h2-9,14-16,20H,10-13,17H2,1H3,(H,33,34)(H,35,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196432 (US9212130, I-360) Show SMILES Cc1nc2ccc(Nc3ncc(NC(=O)C(C)(C)O)c(=O)n3Cc3ccc(Cl)cc3)cc2s1 Show InChI InChI=1S/C23H22ClN5O3S/c1-13-26-17-9-8-16(10-19(17)33-13)27-22-25-11-18(28-21(31)23(2,3)32)20(30)29(22)12-14-4-6-15(24)7-5-14/h4-11,32H,12H2,1-3H3,(H,25,27)(H,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196314 (US9212130, I-234) Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C26H28ClFN4O4/c1-16(2)36-23-8-7-20(13-21(23)28)30-26-29-14-22(31-24(33)18-9-11-35-12-10-18)25(34)32(26)15-17-3-5-19(27)6-4-17/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,29,30)(H,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196348 (US9212130, I-268) Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C(C)(C)O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C24H26ClFN4O4/c1-14(2)34-20-10-9-17(11-18(20)26)28-23-27-12-19(29-22(32)24(3,4)33)21(31)30(23)13-15-5-7-16(25)8-6-15/h5-12,14,33H,13H2,1-4H3,(H,27,28)(H,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196344 (US9212130, I-264) Show SMILES Cc1nc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2s1 Show InChI InChI=1S/C25H24ClN5O3S/c1-15-28-20-7-6-19(12-22(20)35-15)29-25-27-13-21(30-23(32)17-8-10-34-11-9-17)24(33)31(25)14-16-2-4-18(26)5-3-16/h2-7,12-13,17H,8-11,14H2,1H3,(H,27,29)(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196389 (US9212130, I-311) Show SMILES Fc1cc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)cnc1Cl Show InChI InChI=1S/C28H24Cl2FN5O4/c29-19-3-1-17(2-4-19)16-36-27(38)24(35-26(37)18-9-11-39-12-10-18)15-33-28(36)34-20-5-7-21(8-6-20)40-22-13-23(31)25(30)32-14-22/h1-8,13-15,18H,9-12,16H2,(H,33,34)(H,35,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196383 (US9212130, I-305) Show SMILES OC(=O)c1cncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1 Show InChI InChI=1S/C29H26ClN5O6/c30-21-3-1-18(2-4-21)17-35-27(37)25(34-26(36)19-9-11-40-12-10-19)16-32-29(35)33-22-5-7-23(8-6-22)41-24-13-20(28(38)39)14-31-15-24/h1-8,13-16,19H,9-12,17H2,(H,32,33)(H,34,36)(H,38,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196199 (US9212130, I-094) Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(CC3COC(C)(C)OC3)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C27H31Cl2N3O5/c1-17(2)37-23-10-9-21(11-22(23)29)30-24-12-25(33)32(14-19-15-35-27(3,4)36-16-19)26(34)31(24)13-18-5-7-20(28)8-6-18/h5-12,17,19,30H,13-16H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196166 (US9212130, I-012) Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(CC(C)(C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C25H27Cl2N3O5/c1-15(2)35-20-10-9-18(11-19(20)27)28-21-12-22(31)30(14-25(3,4)23(32)33)24(34)29(21)13-16-5-7-17(26)8-6-16/h5-12,15,28H,13-14H2,1-4H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196316 (US9212130, I-236) Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C26H28Cl2N4O4/c1-16(2)36-23-8-7-20(13-21(23)28)30-26-29-14-22(31-24(33)18-9-11-35-12-10-18)25(34)32(26)15-17-3-5-19(27)6-4-17/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,29,30)(H,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196393 (US9212130, I-315) Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cncc(c3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H21ClN4O5/c1-2-29-23(31)12-22(30(25(29)34)15-16-3-5-18(26)6-4-16)28-19-7-9-20(10-8-19)35-21-11-17(24(32)33)13-27-14-21/h3-14,28H,2,15H2,1H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196203 (US9212130, I-099) Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(CC(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C24H27Cl2N3O5/c1-15(2)34-21-8-7-19(9-20(21)26)27-22-10-23(32)29(12-17(13-30)14-31)24(33)28(22)11-16-3-5-18(25)6-4-16/h3-10,15,17,27,30-31H,11-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196367 (US9212130, I-289) Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)NC3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C26H29ClFN5O4/c1-16(2)37-23-8-7-20(13-21(23)28)30-25-29-14-22(32-26(35)31-19-9-11-36-12-10-19)24(34)33(25)15-17-3-5-18(27)6-4-17/h3-8,13-14,16,19H,9-12,15H2,1-2H3,(H,29,30)(H2,31,32,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196330 (US9212130, I-250) Show SMILES CCNC(=O)Nc1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H25ClFN5O3/c1-4-26-23(32)29-19-12-27-22(28-17-9-10-20(18(25)11-17)33-14(2)3)30(21(19)31)13-15-5-7-16(24)8-6-15/h5-12,14H,4,13H2,1-3H3,(H,27,28)(H2,26,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196374 (BDBM196434 | US9212130, I-298) Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C(CO)CO)c(=O)n3Cc3ccc(Cl)cc3)cc2)cn1 Show InChI InChI=1S/C27H26ClN5O5/c1-17-2-9-23(12-29-17)38-22-10-7-21(8-11-22)31-27-30-13-24(32-25(36)19(15-34)16-35)26(37)33(27)14-18-3-5-20(28)6-4-18/h2-13,19,34-35H,14-16H2,1H3,(H,30,31)(H,32,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196364 (US9212130, I-286) Show SMILES Cc1nc2ccc(Nc3nc(=O)c(cn3Cc3ccc(Cl)cc3)C(=O)NC3CCOCC3)cc2s1 Show InChI InChI=1S/C25H24ClN5O3S/c1-15-27-21-7-6-19(12-22(21)35-15)29-25-30-24(33)20(23(32)28-18-8-10-34-11-9-18)14-31(25)13-16-2-4-17(26)5-3-16/h2-7,12,14,18H,8-11,13H2,1H3,(H,28,32)(H,29,30,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196374 (BDBM196434 | US9212130, I-298) Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C(CO)CO)c(=O)n3Cc3ccc(Cl)cc3)cc2)cn1 Show InChI InChI=1S/C27H26ClN5O5/c1-17-2-9-23(12-29-17)38-22-10-7-21(8-11-22)31-27-30-13-24(32-25(36)19(15-34)16-35)26(37)33(27)14-18-3-5-20(28)6-4-18/h2-13,19,34-35H,14-16H2,1H3,(H,30,31)(H,32,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196372 (US9212130, I-294) Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C4COC(C)(C)OC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)cn1 Show InChI InChI=1S/C30H30ClN5O5/c1-19-4-11-25(14-32-19)41-24-12-9-23(10-13-24)34-29-33-15-26(35-27(37)21-17-39-30(2,3)40-18-21)28(38)36(29)16-20-5-7-22(31)8-6-20/h4-15,21H,16-18H2,1-3H3,(H,33,34)(H,35,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196396 (US9212130, I-318) Show SMILES Cc1nc2ccc(Nc3ncc(NC(=O)OC(C)(C)C)c(=O)n3Cc3ccc(Cl)cc3)cc2s1 Show InChI InChI=1S/C24H24ClN5O3S/c1-14-27-18-10-9-17(11-20(18)34-14)28-22-26-12-19(29-23(32)33-24(2,3)4)21(31)30(22)13-15-5-7-16(25)8-6-15/h5-12H,13H2,1-4H3,(H,26,28)(H,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196394 (US9212130, I-316) Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3ccnc(c3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C26H23ClN4O5/c1-3-30-24(32)15-23(31(26(30)34)16-17-4-6-18(27)7-5-17)29-19-8-10-20(11-9-19)36-21-12-13-28-22(14-21)25(33)35-2/h4-15,29H,3,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196425 (US9212130, I-353) Show SMILES Cc1nc2ccc(Nc3cc(=O)n(CCOC4CCCCO4)c(=O)n3Cc3ccc(Cl)cc3)cc2s1 Show InChI InChI=1S/C26H27ClN4O4S/c1-17-28-21-10-9-20(14-22(21)36-17)29-23-15-24(32)30(11-13-35-25-4-2-3-12-34-25)26(33)31(23)16-18-5-7-19(27)8-6-18/h5-10,14-15,25,29H,2-4,11-13,16H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196204 (US9212130, I-100) Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl |r| Show InChI InChI=1S/C24H25Cl2N3O5/c1-14(2)34-20-9-8-18(10-19(20)26)27-21-11-22(30)29(12-15(3)23(31)32)24(33)28(21)13-16-4-6-17(25)7-5-16/h4-11,14-15,27H,12-13H2,1-3H3,(H,31,32)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196433 (US9212130, I-361) Show SMILES Cc1nc2ccc(Nc3ncc(NC(=O)C(CO)CO)c(=O)n3Cc3ccc(Cl)cc3)cc2s1 Show InChI InChI=1S/C23H22ClN5O4S/c1-13-26-18-7-6-17(8-20(18)34-13)27-23-25-9-19(28-21(32)15(11-30)12-31)22(33)29(23)10-14-2-4-16(24)5-3-14/h2-9,15,30-31H,10-12H2,1H3,(H,25,27)(H,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196165 (US9212130, I-010) Show SMILES COC(=O)C(C)(C)Cn1c(=O)cc(Nc2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C26H29Cl2N3O5/c1-16(2)36-21-11-10-19(12-20(21)28)29-22-13-23(32)31(15-26(3,4)24(33)35-5)25(34)30(22)14-17-6-8-18(27)9-7-17/h6-13,16,29H,14-15H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196350 (US9212130, I-270) Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C3CCN(CC3)C(C)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C28H31ClFN5O4/c1-17(2)39-25-9-8-22(14-23(25)30)32-28-31-15-24(27(38)35(28)16-19-4-6-21(29)7-5-19)33-26(37)20-10-12-34(13-11-20)18(3)36/h4-9,14-15,17,20H,10-13,16H2,1-3H3,(H,31,32)(H,33,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196355 (US9212130, I-275) Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)c3cc[nH]c(=O)c3)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C26H23ClFN5O4/c1-15(2)37-22-8-7-19(12-20(22)28)31-26-30-13-21(32-24(35)17-9-10-29-23(34)11-17)25(36)33(26)14-16-3-5-18(27)6-4-16/h3-13,15H,14H2,1-2H3,(H,29,34)(H,30,31)(H,32,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196315 (US9212130, I-235) Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN4O4/c1-17(2)35-22-9-7-21(8-10-22)29-26-28-15-23(30-24(32)19-11-13-34-14-12-19)25(33)31(26)16-18-3-5-20(27)6-4-18/h3-10,15,17,19H,11-14,16H2,1-2H3,(H,28,29)(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196390 (US9212130, I-312) Show SMILES CSc1ccc(Cn2c(Nc3ccc4nc(C)sc4c3)ncc(NC(=O)C3CCOCC3)c2=O)cc1 Show InChI InChI=1S/C26H27N5O3S2/c1-16-28-21-8-5-19(13-23(21)36-16)29-26-27-14-22(30-24(32)18-9-11-34-12-10-18)25(33)31(26)15-17-3-6-20(35-2)7-4-17/h3-8,13-14,18H,9-12,15H2,1-2H3,(H,27,29)(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196213 (US9212130, I-111) Show SMILES CC(C)Oc1ccc(NC2=CC(O)N(CC(=O)NC(CO)CO)C(=O)N2Cc2ccc(Cl)cc2)cc1F |t:9| Show InChI InChI=1S/C25H30ClFN4O6/c1-15(2)37-21-8-7-18(9-20(21)27)28-22-10-24(35)31(12-23(34)29-19(13-32)14-33)25(36)30(22)11-16-3-5-17(26)6-4-16/h3-10,15,19,24,28,32-33,35H,11-14H2,1-2H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196317 (US9212130, I-237) Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1C Show InChI InChI=1S/C27H31ClN4O4/c1-17(2)36-24-9-8-22(14-18(24)3)30-27-29-15-23(31-25(33)20-10-12-35-13-11-20)26(34)32(27)16-19-4-6-21(28)7-5-19/h4-9,14-15,17,20H,10-13,16H2,1-3H3,(H,29,30)(H,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196205 (US9212130, I-103) Show SMILES COC(=O)CCCn1c(=O)cc(Nc2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H27Cl2N3O5/c1-16(2)35-21-11-10-19(13-20(21)27)28-22-14-23(31)29(12-4-5-24(32)34-3)25(33)30(22)15-17-6-8-18(26)9-7-17/h6-11,13-14,16,28H,4-5,12,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196214 (US9212130, I-112) Show SMILES CC(C)Oc1ccc(NC2=CC(O)N(CC(=O)NCCO)C(=O)N2Cc2ccc(Cl)cc2)cc1F |t:9| Show InChI InChI=1S/C24H28ClFN4O5/c1-15(2)35-20-8-7-18(11-19(20)26)28-21-12-23(33)30(14-22(32)27-9-10-31)24(34)29(21)13-16-3-5-17(25)6-4-16/h3-8,11-12,15,23,28,31,33H,9-10,13-14H2,1-2H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	14	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196371 (US9212130, I-293) Show SMILES CC(=O)OC(C)(C)C(=O)Nc1cnc(Nc2ccc(Oc3ccc(C)nc3)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C29H28ClN5O5/c1-18-5-12-24(15-31-18)39-23-13-10-22(11-14-23)33-28-32-16-25(34-27(38)29(3,4)40-19(2)36)26(37)35(28)17-20-6-8-21(30)9-7-20/h5-16H,17H2,1-4H3,(H,32,33)(H,34,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196340 (US9212130, I-260) Show SMILES CCCC(=O)Nc1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C24H26ClFN4O3/c1-4-5-22(31)29-20-13-27-24(28-18-10-11-21(19(26)12-18)33-15(2)3)30(23(20)32)14-16-6-8-17(25)9-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,27,28)(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196428 (BDBM196435 | US9212130, I-358) Show SMILES CC(=O)N1CCC(CC1)C(=O)Nc1cnc(Nc2ccc3nc(C)sc3c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C27H27ClN6O3S/c1-16-30-22-8-7-21(13-24(22)38-16)31-27-29-14-23(26(37)34(27)15-18-3-5-20(28)6-4-18)32-25(36)19-9-11-33(12-10-19)17(2)35/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,29,31)(H,32,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196200 (US9212130, I-095) Show SMILES COC(=O)[C@@H](C)Cn1c(=O)cc(Nc2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O |r| Show InChI InChI=1S/C25H27Cl2N3O5/c1-15(2)35-21-10-9-19(11-20(21)27)28-22-12-23(31)30(13-16(3)24(32)34-4)25(33)29(22)14-17-5-7-18(26)8-6-17/h5-12,15-16,28H,13-14H2,1-4H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196358 (US9212130, I-278) Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)N3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C25H27ClFN5O4/c1-16(2)36-22-8-7-19(13-20(22)27)29-24-28-14-21(30-25(34)31-9-11-35-12-10-31)23(33)32(24)15-17-3-5-18(26)6-4-17/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,28,29)(H,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196366 (US9212130, I-288) Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C24H26ClFN4O5/c1-14(2)35-21-8-7-18(9-19(21)26)28-24-27-10-20(29-22(33)16(12-31)13-32)23(34)30(24)11-15-3-5-17(25)6-4-15/h3-10,14,16,31-32H,11-13H2,1-2H3,(H,27,28)(H,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196428 (BDBM196435 | US9212130, I-358) Show SMILES CC(=O)N1CCC(CC1)C(=O)Nc1cnc(Nc2ccc3nc(C)sc3c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C27H27ClN6O3S/c1-16-30-22-8-7-21(13-24(22)38-16)31-27-29-14-23(26(37)34(27)15-18-3-5-20(28)6-4-18)32-25(36)19-9-11-33(12-10-19)17(2)35/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,29,31)(H,32,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196257 (US9212130, I-164) Show SMILES COC(=O)[C@H](C)NC(=O)c1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O |r| Show InChI InChI=1S/C25H26ClFN4O5/c1-14(2)36-21-10-9-18(11-20(21)27)30-25-28-12-19(22(32)29-15(3)24(34)35-4)23(33)31(25)13-16-5-7-17(26)8-6-16/h5-12,14-15H,13H2,1-4H3,(H,28,30)(H,29,32)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM196170 (US9212130, I-021) Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(CC(C)(C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C25H27ClFN3O5/c1-15(2)35-20-10-9-18(11-19(20)27)28-21-12-22(31)30(14-25(3,4)23(32)33)24(34)29(21)13-16-5-7-17(26)8-6-16/h5-12,15,28H,13-14H2,1-4H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
					More data for this Ligand-Target Pair

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