Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'kinoshita' and Initial = 'h'   

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))	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))	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))	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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16312 ((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...) Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r| Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase in Orange A column at day 8				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025972 (7-Hydroxy-4-oxo-4a,8a-dihydro-4H-chromene-2-carbox...) Show SMILES OC(=O)C1=CC(=O)C2=CCC(=O)CC2O1 |t:3,7| Show InChI InChI=1S/C10H8O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h2,4,8H,1,3H2,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 7				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025978 (7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid | CH...) Show SMILES OC(=O)c1cc(=O)c2ccc(O)cc2o1 Show InChI InChI=1S/C10H6O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-4,11H,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase (HPAR).				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50025978 (7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid | CH...) Show SMILES OC(=O)c1cc(=O)c2ccc(O)cc2o1 Show InChI InChI=1S/C10H6O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-4,11H,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against rat lens aldose reductase (RLAR).				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50025973 (7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid ethy...) Show SMILES CCOC(=O)c1cc(=O)c2ccc(O)cc2o1 Show InChI InChI=1S/C12H10O5/c1-2-16-12(15)11-6-9(14)8-4-3-7(13)5-10(8)17-11/h3-6,13H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against rat lens aldose reductase (RLAR).				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50025980 (7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid benz...) Show SMILES Oc1ccc2c(c1)oc(cc2=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C17H12O5/c18-12-6-7-13-14(19)9-16(22-15(13)8-12)17(20)21-10-11-4-2-1-3-5-11/h1-9,18H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against rat lens aldose reductase (RLAR).				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025972 (7-Hydroxy-4-oxo-4a,8a-dihydro-4H-chromene-2-carbox...) Show SMILES OC(=O)C1=CC(=O)C2=CCC(=O)CC2O1 |t:3,7| Show InChI InChI=1S/C10H8O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h2,4,8H,1,3H2,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase in Orange A column at day 8				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50025977 (7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid isop...) Show SMILES CC(C)OC(=O)c1cc(=O)c2ccc(O)cc2o1 Show InChI InChI=1S/C13H12O5/c1-7(2)17-13(16)12-6-10(15)9-4-3-8(14)5-11(9)18-12/h3-7,14H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against rat lens aldose reductase (RLAR).				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025980 (7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid benz...) Show SMILES Oc1ccc2c(c1)oc(cc2=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C17H12O5/c18-12-6-7-13-14(19)9-16(22-15(13)8-12)17(20)21-10-11-4-2-1-3-5-11/h1-9,18H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase (HPAR)				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025979 (3-(Ethoxyoxalyl-amino)-2-hydroxy-5-nitro-benzoic a...) Show SMILES CCOC(=O)C(=O)Nc1cc(cc(C(O)=O)c1O)[N+]([O-])=O Show InChI InChI=1S/C11H10N2O8/c1-2-21-11(18)9(15)12-7-4-5(13(19)20)3-6(8(7)14)10(16)17/h3-4,14H,2H2,1H3,(H,12,15)(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase in Orange A column at time 2				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025972 (7-Hydroxy-4-oxo-4a,8a-dihydro-4H-chromene-2-carbox...) Show SMILES OC(=O)C1=CC(=O)C2=CCC(=O)CC2O1 |t:3,7| Show InChI InChI=1S/C10H8O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h2,4,8H,1,3H2,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase in 30 -70% (NH4)2SO4.				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025979 (3-(Ethoxyoxalyl-amino)-2-hydroxy-5-nitro-benzoic a...) Show SMILES CCOC(=O)C(=O)Nc1cc(cc(C(O)=O)c1O)[N+]([O-])=O Show InChI InChI=1S/C11H10N2O8/c1-2-21-11(18)9(15)12-7-4-5(13(19)20)3-6(8(7)14)10(16)17/h3-4,14H,2H2,1H3,(H,12,15)(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase in Orange A column at at time 2				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025976 (3-Chloro-2-(1H-tetrazol-5-yl)-chromen-4-one | CHEM...) Show SMILES Clc1c(oc2ccccc2c1=O)-c1nnn[nH]1 Show InChI InChI=1S/C10H5ClN4O2/c11-7-8(16)5-3-1-2-4-6(5)17-9(7)10-12-14-15-13-10/h1-4H,(H,12,13,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 7				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025977 (7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid isop...) Show SMILES CC(C)OC(=O)c1cc(=O)c2ccc(O)cc2o1 Show InChI InChI=1S/C13H12O5/c1-7(2)17-13(16)12-6-10(15)9-4-3-8(14)5-11(9)18-12/h3-7,14H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase (HPAR)				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025975 (3-Hydroxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-ca...) Show SMILES OC(=O)c1ccc2nc3cc(O)ccc3c(=O)n2c1 Show InChI InChI=1S/C13H8N2O4/c16-8-2-3-9-10(5-8)14-11-4-1-7(13(18)19)6-15(11)12(9)17/h1-6,16H,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase in 30 -70% (NH4)2SO4.				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025979 (3-(Ethoxyoxalyl-amino)-2-hydroxy-5-nitro-benzoic a...) Show SMILES CCOC(=O)C(=O)Nc1cc(cc(C(O)=O)c1O)[N+]([O-])=O Show InChI InChI=1S/C11H10N2O8/c1-2-21-11(18)9(15)12-7-4-5(13(19)20)3-6(8(7)14)10(16)17/h3-4,14H,2H2,1H3,(H,12,15)(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 1				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025972 (7-Hydroxy-4-oxo-4a,8a-dihydro-4H-chromene-2-carbox...) Show SMILES OC(=O)C1=CC(=O)C2=CCC(=O)CC2O1 |t:3,7| Show InChI InChI=1S/C10H8O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h2,4,8H,1,3H2,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 7				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16312 ((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...) Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r| Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase in Orange A column at day 8				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025973 (7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid ethy...) Show SMILES CCOC(=O)c1cc(=O)c2ccc(O)cc2o1 Show InChI InChI=1S/C12H10O5/c1-2-16-12(15)11-6-9(14)8-4-3-7(13)5-10(8)17-11/h3-6,13H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase (HPAR)				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025975 (3-Hydroxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-ca...) Show SMILES OC(=O)c1ccc2nc3cc(O)ccc3c(=O)n2c1 Show InChI InChI=1S/C13H8N2O4/c16-8-2-3-9-10(5-8)14-11-4-1-7(13(18)19)6-15(11)12(9)17/h1-6,16H,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at day 7				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50025972 (7-Hydroxy-4-oxo-4a,8a-dihydro-4H-chromene-2-carbox...) Show SMILES OC(=O)C1=CC(=O)C2=CCC(=O)CC2O1 |t:3,7| Show InChI InChI=1S/C10H8O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h2,4,8H,1,3H2,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase in 30 -70% (NH4)2SO4.				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) Show SMILES OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human placental aldose reductase in Sepharose 4B column at time 1				J Med Chem 28: 841-9 (1985) BindingDB Entry DOI: 10.7270/Q2J965DD
					More data for this Ligand-Target Pair

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