Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50001269   

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))	BDBM50274369 (CHEMBL4126267) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1cc(C)no1 |c:11| Show InChI InChI=1S/C28H28N2O5/c1-17-16-23(35-29-17)18-8-12-21(13-9-18)30-25(19-6-4-3-5-7-19)24(27(32)28(30)33)26(31)20-10-14-22(34-2)15-11-20/h8-16,19,25,32H,3-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274344 (CHEMBL4129184) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C2CCCCC2)C(C(=O)c2ccc(OC)cc2)=C(O)C1=O |t:32| Show InChI InChI=1S/C27H29NO6/c1-3-34-27(32)19-9-13-20(14-10-19)28-23(17-7-5-4-6-8-17)22(25(30)26(28)31)24(29)18-11-15-21(33-2)16-12-18/h9-17,23,30H,3-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274346 (CHEMBL4129491) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1noc(C)n1 |c:11| Show InChI InChI=1S/C27H27N3O5/c1-16-28-26(29-35-16)19-8-12-20(13-9-19)30-23(17-6-4-3-5-7-17)22(25(32)27(30)33)24(31)18-10-14-21(34-2)15-11-18/h8-15,17,23,32H,3-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274400 (CHEMBL4128213) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)c2ccc(OC)cc2)=C(O)C1=O)c1ccc(F)cc1 |t:25| Show InChI InChI=1S/C27H22FNO6/c1-3-35-27(33)18-6-12-20(13-7-18)29-23(16-4-10-19(28)11-5-16)22(25(31)26(29)32)24(30)17-8-14-21(34-2)15-9-17/h4-15,23,31H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274345 (CHEMBL4130242) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)c2ccc(OC)cc2)=C(O)C1=O)c1ccccc1 |t:25| Show InChI InChI=1S/C27H23NO6/c1-3-34-27(32)19-9-13-20(14-10-19)28-23(17-7-5-4-6-8-17)22(25(30)26(28)31)24(29)18-11-15-21(33-2)16-12-18/h4-16,23,30H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274371 (CHEMBL4128106) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1nc(C)no1 |c:11| Show InChI InChI=1S/C27H27N3O5/c1-16-28-26(35-29-16)19-8-12-20(13-9-19)30-23(17-6-4-3-5-7-17)22(25(32)27(30)33)24(31)18-10-14-21(34-2)15-11-18/h8-15,17,23,32H,3-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274365 (CHEMBL4127637) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1 |c:11| Show InChI InChI=1S/C27H26N2O5/c1-33-21-13-9-19(10-14-21)25(30)23-24(18-5-3-2-4-6-18)29(27(32)26(23)31)20-11-7-17(8-12-20)22-15-16-34-28-22/h7-16,18,24,31H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274415 (CHEMBL4126833) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)c2ccc(OC)cc2)=C(O)C1=O)c1cccc(F)c1 |t:25| Show InChI InChI=1S/C27H22FNO6/c1-3-35-27(33)17-7-11-20(12-8-17)29-23(18-5-4-6-19(28)15-18)22(25(31)26(29)32)24(30)16-9-13-21(34-2)14-10-16/h4-15,23,31H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274322 (CHEMBL4126038) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1nnc(C)o1 |c:11| Show InChI InChI=1S/C27H27N3O5/c1-16-28-29-26(35-16)19-8-12-20(13-9-19)30-23(17-6-4-3-5-7-17)22(25(32)27(30)33)24(31)18-10-14-21(34-2)15-11-18/h8-15,17,23,32H,3-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274321 (CHEMBL4127346) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)c2ccc(OC)cc2)=C(O)C1=O)c1ccccc1Cl |t:25| Show InChI InChI=1S/C27H22ClNO6/c1-3-35-27(33)17-8-12-18(13-9-17)29-23(20-6-4-5-7-21(20)28)22(25(31)26(29)32)24(30)16-10-14-19(34-2)15-11-16/h4-15,23,31H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM86478 (A-317491) Show SMILES OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(=O)N(Cc1cccc(Oc2ccccc2)c1)[C@H]1CCCc2ccccc12 Show InChI InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair				3D Structure (crystal)
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274372 (CHEMBL4127133) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1ccc(cc1)-c1noc(C)n1 |c:11| Show InChI InChI=1S/C27H21N3O5/c1-16-28-26(29-35-16)19-8-12-20(13-9-19)30-23(17-6-4-3-5-7-17)22(25(32)27(30)33)24(31)18-10-14-21(34-2)15-11-18/h3-15,23,32H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274416 (CHEMBL4126971) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)c2ccc(OC)cc2)=C(O)C1=O)c1ccccc1F |t:25| Show InChI InChI=1S/C27H22FNO6/c1-3-35-27(33)17-8-12-18(13-9-17)29-23(20-6-4-5-7-21(20)28)22(25(31)26(29)32)24(30)16-10-14-19(34-2)15-11-16/h4-15,23,31H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274363 (CHEMBL4127788) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)c2ccc(OC)cc2)=C(O)C1=O)c1ccc(Cl)cc1 |t:25| Show InChI InChI=1S/C27H22ClNO6/c1-3-35-27(33)18-6-12-20(13-7-18)29-23(16-4-10-19(28)11-5-16)22(25(31)26(29)32)24(30)17-8-14-21(34-2)15-9-17/h4-15,23,31H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274370 (CHEMBL4129357) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ncco1 |c:11| Show InChI InChI=1S/C27H26N2O5/c1-33-21-13-9-18(10-14-21)24(30)22-23(17-5-3-2-4-6-17)29(27(32)25(22)31)20-11-7-19(8-12-20)26-28-15-16-34-26/h7-17,23,31H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274399 (CHEMBL4129031) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C)C)C(C(=O)c2ccc(OC)cc2)=C(O)C1=O |t:28| Show InChI InChI=1S/C24H25NO6/c1-5-31-24(29)16-6-10-17(11-7-16)25-20(14(2)3)19(22(27)23(25)28)21(26)15-8-12-18(30-4)13-9-15/h6-14,20,27H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274396 (CHEMBL4130133) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)C(C)(C)C)=C(O)C1=O)c1ccccc1 |t:20| Show InChI InChI=1S/C24H25NO5/c1-5-30-23(29)16-11-13-17(14-12-16)25-19(15-9-7-6-8-10-15)18(20(26)22(25)28)21(27)24(2,3)4/h6-14,19,26H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274323 (CHEMBL4127171) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F |c:11| Show InChI InChI=1S/C25H17F4NO4/c1-34-19-12-4-15(5-13-19)22(31)20-21(14-2-8-17(26)9-3-14)30(24(33)23(20)32)18-10-6-16(7-11-18)25(27,28)29/h2-13,21,32H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274320 (CHEMBL4129977) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)c2ccccc2)=C(O)C1=O)c1ccccc1 |t:23| Show InChI InChI=1S/C26H21NO5/c1-2-32-26(31)19-13-15-20(16-14-19)27-22(17-9-5-3-6-10-17)21(24(29)25(27)30)23(28)18-11-7-4-8-12-18/h3-16,22,29H,2H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274381 (CHEMBL4127905) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(\C(=N\O)c2ccc(OC)cc2)=C(O)C1=O)c1ccccc1 |t:26| Show InChI InChI=1S/C27H24N2O6/c1-3-35-27(32)19-9-13-20(14-10-19)29-24(18-7-5-4-6-8-18)22(25(30)26(29)31)23(28-33)17-11-15-21(34-2)16-12-17/h4-16,24,30,33H,3H2,1-2H3/b28-23+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274397 (CHEMBL4129705) Show SMILES CCCCC(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1ccc(cc1)C(=O)OCC |c:6| Show InChI InChI=1S/C24H25NO5/c1-3-5-11-19(26)20-21(16-9-7-6-8-10-16)25(23(28)22(20)27)18-14-12-17(13-15-18)24(29)30-4-2/h6-10,12-15,21,27H,3-5,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274380 (CHEMBL4126274) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(NC(=O)c2ccc(OC)cc2)=C(O)C1=O)c1ccccc1 |t:26| Show InChI InChI=1S/C27H24N2O6/c1-3-35-27(33)19-9-13-20(14-10-19)29-23(17-7-5-4-6-8-17)22(24(30)26(29)32)28-25(31)18-11-15-21(34-2)16-12-18/h4-16,23,30H,3H2,1-2H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274376 (CHEMBL4129638) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1ccc(cc1)C(C)=O |c:11| Show InChI InChI=1S/C26H21NO5/c1-16(28)17-8-12-20(13-9-17)27-23(18-6-4-3-5-7-18)22(25(30)26(27)31)24(29)19-10-14-21(32-2)15-11-19/h3-15,23,30H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274362 (CHEMBL4128222) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)Nc2ccc(OC)cc2)=C(O)C1=O)c1ccccc1 |t:26| Show InChI InChI=1S/C27H24N2O6/c1-3-35-27(33)18-9-13-20(14-10-18)29-23(17-7-5-4-6-8-17)22(24(30)26(29)32)25(31)28-19-11-15-21(34-2)16-12-19/h4-16,23,30H,3H2,1-2H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274378 (CHEMBL4127573) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)c2ccc(OC)cc2)=C(NO)C1=O)c1ccccc1 |t:25| Show InChI InChI=1S/C27H24N2O6/c1-3-35-27(32)19-9-13-20(14-10-19)29-24(17-7-5-4-6-8-17)22(23(28-33)26(29)31)25(30)18-11-15-21(34-2)16-12-18/h4-16,24,28,33H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 2/3 (Homo sapiens (Human))	BDBM50274365 (CHEMBL4127637) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1 |c:11| Show InChI InChI=1S/C27H26N2O5/c1-33-21-13-9-19(10-14-21)25(30)23-24(18-5-3-2-4-6-18)29(27(32)26(23)31)20-11-7-17(8-12-20)22-15-16-34-28-22/h7-16,18,24,31H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at P2X2/3 receptor (unknown origin)				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274343 (CHEMBL1456917) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(C)=O)=C(O)C1=O)c1ccccc1 |t:17| Show InChI InChI=1S/C21H19NO5/c1-3-27-21(26)15-9-11-16(12-10-15)22-18(14-7-5-4-6-8-14)17(13(2)23)19(24)20(22)25/h4-12,18,24H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274375 (CHEMBL4128051) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1ccc(cc1)C(=O)N(C)C |c:11| Show InChI InChI=1S/C27H24N2O5/c1-28(2)26(32)19-9-13-20(14-10-19)29-23(17-7-5-4-6-8-17)22(25(31)27(29)33)24(30)18-11-15-21(34-3)16-12-18/h4-16,23,31H,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274379 (CHEMBL4129448) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)c2ccc(OC)cc2)=C(OC)C1=O)c1ccccc1 |t:25| Show InChI InChI=1S/C28H25NO6/c1-4-35-28(32)20-10-14-21(15-11-20)29-24(18-8-6-5-7-9-18)23(26(34-3)27(29)31)25(30)19-12-16-22(33-2)17-13-19/h5-17,24H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274398 (CHEMBL4125741) Show SMILES CCOC(=O)c1ccc(cc1)N1CC(C(=O)c2ccc(OC)cc2)=C(O)C1=O |t:25| Show InChI InChI=1S/C21H19NO6/c1-3-28-21(26)14-4-8-15(9-5-14)22-12-17(19(24)20(22)25)18(23)13-6-10-16(27-2)11-7-13/h4-11,24H,3,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274382 (CHEMBL4128476) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(=C(O)C1=O)c1ccc(OC)cc1)c1ccccc1 |t:14| Show InChI InChI=1S/C26H23NO5/c1-3-32-26(30)19-9-13-20(14-10-19)27-23(18-7-5-4-6-8-18)22(24(28)25(27)29)17-11-15-21(31-2)16-12-17/h4-16,23,28H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274377 (CHEMBL4126198) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1ccc(cc1)C(O)=O |c:11| Show InChI InChI=1S/C25H19NO6/c1-32-19-13-9-16(10-14-19)22(27)20-21(15-5-3-2-4-6-15)26(24(29)23(20)28)18-11-7-17(8-12-18)25(30)31/h2-14,21,28H,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274374 (CHEMBL4128559) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1ccc(CO)cc1 |c:11| Show InChI InChI=1S/C25H21NO5/c1-31-20-13-9-18(10-14-20)23(28)21-22(17-5-3-2-4-6-17)26(25(30)24(21)29)19-11-7-16(15-27)8-12-19/h2-14,22,27,29H,15H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274327 (CHEMBL4126976) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(=CC1=O)C(=O)c1ccc(OC)cc1)c1ccccc1 |c:14| Show InChI InChI=1S/C27H23NO5/c1-3-33-27(31)20-9-13-21(14-10-20)28-24(29)17-23(25(28)18-7-5-4-6-8-18)26(30)19-11-15-22(32-2)16-12-19/h4-17,25H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274324 (CHEMBL4129722) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1ccccc1 |c:11| Show InChI InChI=1S/C24H19NO4/c1-29-19-14-12-17(13-15-19)22(26)20-21(16-8-4-2-5-9-16)25(24(28)23(20)27)18-10-6-3-7-11-18/h2-15,21,27H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50274365 (CHEMBL4127637) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1 |c:11| Show InChI InChI=1S/C27H26N2O5/c1-33-21-13-9-19(10-14-21)25(30)23-24(18-5-3-2-4-6-18)29(27(32)26(23)31)20-11-7-17(8-12-20)22-15-16-34-28-22/h7-16,18,24,31H,2-6H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at P2X1 receptor (unknown origin)				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50274365 (CHEMBL4127637) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1 |c:11| Show InChI InChI=1S/C27H26N2O5/c1-33-21-13-9-19(10-14-21)25(30)23-24(18-5-3-2-4-6-18)29(27(32)26(23)31)20-11-7-17(8-12-20)22-15-16-34-28-22/h7-16,18,24,31H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor (unknown origin)				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM50274365 (CHEMBL4127637) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1 |c:11| Show InChI InChI=1S/C27H26N2O5/c1-33-21-13-9-19(10-14-21)25(30)23-24(18-5-3-2-4-6-18)29(27(32)26(23)31)20-11-7-17(8-12-20)22-15-16-34-28-22/h7-16,18,24,31H,2-6H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at P2X2 receptor (unknown origin)				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274342 (CHEMBL4129182) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(Cc2ccc(OC)cc2)=C(O)C1=O)c1ccccc1 |t:24| Show InChI InChI=1S/C27H25NO5/c1-3-33-27(31)20-11-13-21(14-12-20)28-24(19-7-5-4-6-8-19)23(25(29)26(28)30)17-18-9-15-22(32-2)16-10-18/h4-16,24,29H,3,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50274365 (CHEMBL4127637) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1 |c:11| Show InChI InChI=1S/C27H26N2O5/c1-33-21-13-9-19(10-14-21)25(30)23-24(18-5-3-2-4-6-18)29(27(32)26(23)31)20-11-7-17(8-12-20)22-15-16-34-28-22/h7-16,18,24,31H,2-6H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at P2X4 receptor (unknown origin)				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair