Compile Data Set for Download or QSAR

Found 776 hits with Last Name = 'ueda' and Initial = 'm'   

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
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50384537 (CHEMBL2036430) Show SMILES CN(C)c1ccc(cc1)\N=N\c1nc2ccc(I)cc2s1 Show InChI InChI=1S/C15H13IN4S/c1-20(2)12-6-4-11(5-7-12)18-19-15-17-13-8-3-10(16)9-14(13)21-15/h3-9H,1-2H3/b19-18+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of Thioflavin S from recombinant human tau expressed in Escherichia coli after 30 mins by fluorescence assay				ACS Med Chem Lett 3: 58-62 (2012) Article DOI: 10.1021/ml200230e BindingDB Entry DOI: 10.7270/Q2PR7X1P
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50384538 (CHEMBL2036419 | CHEMBL2036420) Show SMILES CN(C)c1ccc(cc1)\N=N\c1nc2ccc(OCCOCCOCCF)cc2s1 Show InChI InChI=1S/C21H25FN4O3S/c1-26(2)17-5-3-16(4-6-17)24-25-21-23-19-8-7-18(15-20(19)30-21)29-14-13-28-12-11-27-10-9-22/h3-8,15H,9-14H2,1-2H3/b25-24+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of Thioflavin S from recombinant human tau expressed in Escherichia coli after 30 mins by fluorescence assay				ACS Med Chem Lett 3: 58-62 (2012) Article DOI: 10.1021/ml200230e BindingDB Entry DOI: 10.7270/Q2PR7X1P
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50103634 (CL-287389 | FK-235 | Nilvadipine | Nivadipine | SK...) Show SMILES COC(=O)C1=C(NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C)C#N |c:8,t:4| Show InChI InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channels of rat cerebral cortex				J Med Chem 32: 2399-406 (1989) BindingDB Entry DOI: 10.7270/Q2GH9M57
					More data for this Ligand-Target Pair
Alternative oxidase, mitochondrial (Trypanosoma brucei brucei)	BDBM50576972 (CHEMBL4879019) Show SMILES [Br-].CCOC(=O)c1cc(C)c(C(=O)OCCCCCCCCCCCCCC[n+]2ccc(\C=C\c3cc4CCCN5CCCc(c3O)c45)cc2)c(O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma brucei brucei alternative oxidase using ubiquinol as substrate preincubated for 2 mins followed by substrate ad...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113470 BindingDB Entry DOI: 10.7270/Q2N87FMC
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50227967 (CHEMBL78973) Show SMILES CC(C)OC(=O)C1=C(C)N=C(C)N(C1c1ccccc1[N+]([O-])=O)C(=O)OCCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 |c:6,t:9| Show InChI InChI=1S/C33H34Cl2N4O6/c1-21(2)45-32(40)30-22(3)36-23(4)38(31(30)26-12-8-9-13-29(26)39(42)43)33(41)44-17-16-37(19-24-10-6-5-7-11-24)20-25-14-15-27(34)28(35)18-25/h5-15,18,21,31H,16-17,19-20H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of [3H]- Nitrendipine binding to L-type calcium channels of rat cerebral cortex				J Med Chem 32: 2399-406 (1989) BindingDB Entry DOI: 10.7270/Q2GH9M57
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50101817 (Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...) Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC |c:4,9| Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channels of rat cerebral cortex				J Med Chem 32: 2399-406 (1989) BindingDB Entry DOI: 10.7270/Q2GH9M57
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50101815 (CHEBI:7550 | Nicardipine) Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1 |c:4,9| Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channels of rat cerebral cortex				J Med Chem 32: 2399-406 (1989) BindingDB Entry DOI: 10.7270/Q2GH9M57
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50227968 (CHEMBL310953) Show SMILES CC(C)OC(=O)C1=C(C)N=C(C)N(C1c1ccccc1[N+]([O-])=O)C(=O)OCCN(Cc1ccccc1)Cc1ccc2ccccc2c1 |c:6,t:9| Show InChI InChI=1S/C37H38N4O6/c1-25(2)47-36(42)34-26(3)38-27(4)40(35(34)32-16-10-11-17-33(32)41(44)45)37(43)46-21-20-39(23-28-12-6-5-7-13-28)24-29-18-19-30-14-8-9-15-31(30)22-29/h5-19,22,25,35H,20-21,23-24H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of [3H]- Nitrendipine binding to L-type calcium channels of rat cerebral cortex				J Med Chem 32: 2399-406 (1989) BindingDB Entry DOI: 10.7270/Q2GH9M57
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50227969 (CHEMBL312176 | CV-4093) Show SMILES CO\C(O)=C1/C(C(C(=O)OCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:36,t:33| Show InChI InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,40H,17-22H2,1-3H3/b34-30-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of [3H]- Nitrendipine binding to L-type calcium channels of rat cerebral cortex				J Med Chem 32: 2399-406 (1989) BindingDB Entry DOI: 10.7270/Q2GH9M57
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Rattus norvegicus)	BDBM50011938 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-th...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCc2cccs2)cc1O Show InChI InChI=1S/C16H13NO4S/c17-10-12(8-11-3-4-14(18)15(19)9-11)16(20)21-6-5-13-2-1-7-22-13/h1-4,7-9,18-19H,5-6H2/b12-8+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Rattus norvegicus)	BDBM50009001 (5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Rattus norvegicus)	BDBM50011932 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid ethy...) Show SMILES CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C12H11NO4/c1-2-17-12(16)9(7-13)5-8-3-4-10(14)11(15)6-8/h3-6,14-15H,2H2,1H3/b9-5+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Alternative oxidase, mitochondrial (Trypanosoma brucei brucei)	BDBM50576974 (CHEMBL4872515) Show SMILES [Br-].COC(=O)c1c(C)cc(OCCCCCCCCCCCCCC[n+]2ccc(\C=C\c3cc4CCCN5CCCc(c3O)c45)cc2)cc1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma brucei brucei alternative oxidase using ubiquinol as substrate preincubated for 2 mins followed by substrate ad...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113470 BindingDB Entry DOI: 10.7270/Q2N87FMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Rattus norvegicus)	BDBM50011934 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid phen...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCc2ccccc2)cc1O Show InChI InChI=1S/C18H15NO4/c19-12-15(10-14-6-7-16(20)17(21)11-14)18(22)23-9-8-13-4-2-1-3-5-13/h1-7,10-11,20-21H,8-9H2/b15-10+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Rattus norvegicus)	BDBM50011930 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-ph...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCc2ccccc2)cc1O Show InChI InChI=1S/C19H17NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,21-22H,4,7,10H2/b16-11+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Rattus norvegicus)	BDBM50011931 ((2E)‐3‐phenylprop‐2‐enR...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OC\C=C\c2ccccc2)cc1O Show InChI InChI=1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Rattus norvegicus)	BDBM50011935 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-(2...) Show SMILES COc1ccccc1CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C19H17NO5/c1-24-18-5-3-2-4-14(18)8-9-25-19(23)15(12-20)10-13-6-7-16(21)17(22)11-13/h2-7,10-11,21-22H,8-9H2,1H3/b15-10+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50011938 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-th...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCc2cccs2)cc1O Show InChI InChI=1S/C16H13NO4S/c17-10-12(8-11-3-4-14(18)15(19)9-11)16(20)21-6-5-13-2-1-7-22-13/h1-4,7-9,18-19H,5-6H2/b12-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 5-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50011935 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-(2...) Show SMILES COc1ccccc1CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C19H17NO5/c1-24-18-5-3-2-4-14(18)8-9-25-19(23)15(12-20)10-13-6-7-16(21)17(22)11-13/h2-7,10-11,21-22H,8-9H2,1H3/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 5-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Alternative oxidase, mitochondrial (Trypanosoma brucei brucei)	BDBM50576973 (CHEMBL4857072) Show SMILES [Br-].Cc1cc(O)cc(OCCCCCCCCCCCCCC[n+]2ccc(\C=C\c3cc4CCCN5CCCc(c3O)c45)cc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma brucei brucei alternative oxidase using ubiquinol as substrate preincubated for 2 mins followed by substrate ad...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113470 BindingDB Entry DOI: 10.7270/Q2N87FMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50011930 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-ph...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCc2ccccc2)cc1O Show InChI InChI=1S/C19H17NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,21-22H,4,7,10H2/b16-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 5-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50011934 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid phen...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCc2ccccc2)cc1O Show InChI InChI=1S/C18H15NO4/c19-12-15(10-14-6-7-16(20)17(21)11-14)18(22)23-9-8-13-4-2-1-3-5-13/h1-7,10-11,20-21H,8-9H2/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 5-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Rattus norvegicus)	BDBM50011937 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 8-(3...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCCCCCCn2ccnc2)cc1O Show InChI InChI=1S/C21H25N3O4/c22-15-18(13-17-7-8-19(25)20(26)14-17)21(27)28-12-6-4-2-1-3-5-10-24-11-9-23-16-24/h7-9,11,13-14,16,25-26H,1-6,10,12H2/b18-13+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50011933 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 4-ph...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCCc2ccccc2)cc1O Show InChI InChI=1S/C20H19NO4/c21-14-17(12-16-9-10-18(22)19(23)13-16)20(24)25-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,22-23H,4-5,8,11H2/b17-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 5-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50384538 (CHEMBL2036419 | CHEMBL2036420) Show SMILES CN(C)c1ccc(cc1)\N=N\c1nc2ccc(OCCOCCOCCF)cc2s1 Show InChI InChI=1S/C21H25FN4O3S/c1-26(2)17-5-3-16(4-6-17)24-25-21-23-19-8-7-18(15-20(19)30-21)29-14-13-28-12-11-27-10-9-22/h3-8,15H,9-14H2,1-2H3/b25-24+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of Thioflavin S from recombinant human tau expressed in Escherichia coli after 30 mins by fluorescence assay				ACS Med Chem Lett 3: 58-62 (2012) Article DOI: 10.1021/ml200230e BindingDB Entry DOI: 10.7270/Q2PR7X1P
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50009001 (5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491199 (US10975056, Example 143) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(N)CC2)c1C#N Show InChI InChI=1S/C22H24N6OS/c1-2-16-17(12-23)21(28-10-8-15(25)9-11-28)27-22(18(16)13-24)30-19(20(26)29)14-6-4-3-5-7-14/h3-7,15,19H,2,8-11,25H2,1H3,(H2,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491200 (US10975056, Example 144) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCN)c1C#N Show InChI InChI=1S/C20H22N6OS/c1-3-14-15(11-22)19(26(2)10-9-21)25-20(16(14)12-23)28-17(18(24)27)13-7-5-4-6-8-13/h4-8,17H,3,9-10,21H2,1-2H3,(H2,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491201 (2-((6-((2-Amino-2-oxoethyl)(methyl)amino)-3,5-dicy...) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CC(N)=O)c1C#N Show InChI InChI=1S/C20H20N6O2S/c1-3-13-14(9-21)19(26(2)11-16(23)27)25-20(15(13)10-22)29-17(18(24)28)12-7-5-4-6-8-12/h4-8,17H,3,11H2,1-2H3,(H2,23,27)(H2,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491202 (US10975056, Example 146) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CC(O)C2)c1C#N Show InChI InChI=1S/C20H19N5O2S/c1-2-14-15(8-21)19(25-10-13(26)11-25)24-20(16(14)9-22)28-17(18(23)27)12-6-4-3-5-7-12/h3-7,13,17,26H,2,10-11H2,1H3,(H2,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491479 (US10975056, Example 462) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)N2[C@@H](C)CC[C@@H]2C)c1C#N |r| Show InChI InChI=1S/C28H34N6OS/c1-4-22-23(16-29)27(33-14-12-21(13-15-33)34-18(2)10-11-19(34)3)32-28(24(22)17-30)36-25(26(31)35)20-8-6-5-7-9-20/h5-9,18-19,21,25H,4,10-15H2,1-3H3,(H2,31,35)/t18-,19-,25?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491480 (US10975056, Example 463) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCN2CCC[C@@H]2C)c1C#N |r| Show InChI InChI=1S/C25H30N6OS/c1-4-19-20(15-26)24(30(3)13-14-31-12-8-9-17(31)2)29-25(21(19)16-27)33-22(23(28)32)18-10-6-5-7-11-18/h5-7,10-11,17,22H,4,8-9,12-14H2,1-3H3,(H2,28,32)/t17-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491481 (US10975056, Example 464) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)N2CCC[C@@H]2CO)c1C#N |r| Show InChI InChI=1S/C27H32N6O2S/c1-2-21-22(15-28)26(32-13-10-19(11-14-32)33-12-6-9-20(33)17-34)31-27(23(21)16-29)36-24(25(30)35)18-7-4-3-5-8-18/h3-5,7-8,19-20,24,34H,2,6,9-14,17H2,1H3,(H2,30,35)/t20-,24?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491482 (US10975056, Example 465) Show SMILES CCc1c(C#N)c(S[C@H](C(N)=O)c2ccc(F)cc2)nc(N2CCC(CC2)N(C)C)c1C#N |r| Show InChI InChI=1S/C24H27FN6OS/c1-4-18-19(13-26)23(31-11-9-17(10-12-31)30(2)3)29-24(20(18)14-27)33-21(22(28)32)15-5-7-16(25)8-6-15/h5-8,17,21H,4,9-12H2,1-3H3,(H2,28,32)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491483 (US10975056, Example 466) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)NCC2(C)CCC2)c1C#N Show InChI InChI=1S/C28H34N6OS/c1-3-21-22(16-29)26(34-14-10-20(11-15-34)32-18-28(2)12-7-13-28)33-27(23(21)17-30)36-24(25(31)35)19-8-5-4-6-9-19/h4-6,8-9,20,24,32H,3,7,10-15,18H2,1-2H3,(H2,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491484 (US10975056, Example 467) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)NCc2ccc(OC)nc2)c1C#N Show InChI InChI=1S/C29H31N7O2S/c1-3-22-23(15-30)28(35-29(24(22)16-31)39-26(27(32)37)20-7-5-4-6-8-20)36-13-11-21(12-14-36)33-17-19-9-10-25(38-2)34-18-19/h4-10,18,21,26,33H,3,11-14,17H2,1-2H3,(H2,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491485 (US10975056, Example 468) Show SMILES CCNCCN(C)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(CC)c1C#N Show InChI InChI=1S/C22H26N6OS/c1-4-16-17(13-23)21(28(3)12-11-26-5-2)27-22(18(16)14-24)30-19(20(25)29)15-9-7-6-8-10-15/h6-10,19,26H,4-5,11-12H2,1-3H3,(H2,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491486 (US10975056, Example 469) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CN3CCN(C)CC3)CC2)c1C#N Show InChI InChI=1S/C28H35N7OS/c1-3-22-23(17-29)27(35-11-9-20(10-12-35)19-34-15-13-33(2)14-16-34)32-28(24(22)18-30)37-25(26(31)36)21-7-5-4-6-8-21/h4-8,20,25H,3,9-16,19H2,1-2H3,(H2,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491487 (US10975056, Example 470) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCNC)c1C#N Show InChI InChI=1S/C21H24N6OS/c1-4-15-16(12-22)20(27(3)11-10-25-2)26-21(17(15)13-23)29-18(19(24)28)14-8-6-5-7-9-14/h5-9,18,25H,4,10-11H2,1-3H3,(H2,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491488 (US10975056, Example 471) Show SMILES CCc1c(C#N)c(SCc2ccc(cc2)N(C)S(C)(=O)=O)nc(N(C)CCNC)c1C#N Show InChI InChI=1S/C22H28N6O2S2/c1-6-18-19(13-23)21(27(3)12-11-25-2)26-22(20(18)14-24)31-15-16-7-9-17(10-8-16)28(4)32(5,29)30/h7-10,25H,6,11-12,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491489 (US10975056, Example 472) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)N2[C@H](C)CC[C@H]2C)c1C#N |r| Show InChI InChI=1S/C28H34N6OS/c1-4-22-23(16-29)27(33-14-12-21(13-15-33)34-18(2)10-11-19(34)3)32-28(24(22)17-30)36-25(26(31)35)20-8-6-5-7-9-20/h5-9,18-19,21,25H,4,10-15H2,1-3H3,(H2,31,35)/t18-,19-,25?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491490 (US10975056, Example 473) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)NCC2(C)CC2)c1C#N Show InChI InChI=1S/C27H32N6OS/c1-3-20-21(15-28)25(33-13-9-19(10-14-33)31-17-27(2)11-12-27)32-26(22(20)16-29)35-23(24(30)34)18-7-5-4-6-8-18/h4-8,19,23,31H,3,9-14,17H2,1-2H3,(H2,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491491 (US10975056, Example 474) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)NCc2ccc(F)cc2)c1C#N Show InChI InChI=1S/C29H29FN6OS/c1-2-23-24(16-31)28(36-14-12-22(13-15-36)34-18-19-8-10-21(30)11-9-19)35-29(25(23)17-32)38-26(27(33)37)20-6-4-3-5-7-20/h3-11,22,26,34H,2,12-15,18H2,1H3,(H2,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491492 (US10975056, Example 475) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCN2CCC[C@H]2CO)c1C#N |r| Show InChI InChI=1S/C25H30N6O2S/c1-3-19-20(14-26)24(30(2)12-13-31-11-7-10-18(31)16-32)29-25(21(19)15-27)34-22(23(28)33)17-8-5-4-6-9-17/h4-6,8-9,18,22,32H,3,7,10-13,16H2,1-2H3,(H2,28,33)/t18-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491493 (US10975056, Example 476) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCN2[C@@H](C)CC[C@H]2C)c1C#N |r| Show InChI InChI=1S/C26H32N6OS/c1-5-20-21(15-27)25(31(4)13-14-32-17(2)11-12-18(32)3)30-26(22(20)16-28)34-23(24(29)33)19-9-7-6-8-10-19/h6-10,17-18,23H,5,11-14H2,1-4H3,(H2,29,33)/t17-,18+,23?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491494 (US10975056, Example 477) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCN2CCCCCC2)c1C#N Show InChI InChI=1S/C26H32N6OS/c1-3-20-21(17-27)25(31(2)15-16-32-13-9-4-5-10-14-32)30-26(22(20)18-28)34-23(24(29)33)19-11-7-6-8-12-19/h6-8,11-12,23H,3-5,9-10,13-16H2,1-2H3,(H2,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491495 (US10975056, Example 478) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCN2CCCCC2)c1C#N Show InChI InChI=1S/C25H30N6OS/c1-3-19-20(16-26)24(30(2)14-15-31-12-8-5-9-13-31)29-25(21(19)17-27)33-22(23(28)32)18-10-6-4-7-11-18/h4,6-7,10-11,22H,3,5,8-9,12-15H2,1-2H3,(H2,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491496 (US10975056, Example 479) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCN2CCC[C@@H]2CO)c1C#N |r| Show InChI InChI=1S/C25H30N6O2S/c1-3-19-20(14-26)24(30(2)12-13-31-11-7-10-18(31)16-32)29-25(21(19)15-27)34-22(23(28)33)17-8-5-4-6-9-17/h4-6,8-9,18,22,32H,3,7,10-13,16H2,1-2H3,(H2,28,33)/t18-,22?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491497 (US10975056, Example 480) Show SMILES CCc1c(C#N)c(SCc2ccc(cc2)N(C)S(C)(=O)=O)nc(N(C)CCNCCOC)c1C#N Show InChI InChI=1S/C24H32N6O3S2/c1-6-20-21(15-25)23(29(2)13-11-27-12-14-33-4)28-24(22(20)16-26)34-17-18-7-9-19(10-8-18)30(3)35(5,31)32/h7-10,27H,6,11-14,17H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491498 (US10975056, Example 481) Show SMILES CCc1c(C#N)c(SCc2ccc(cc2)N(C)S(C)(=O)=O)nc(N(C)CCNC2(C)CC2)c1C#N Show InChI InChI=1S/C25H32N6O2S2/c1-6-20-21(15-26)23(30(3)14-13-28-25(2)11-12-25)29-24(22(20)16-27)34-17-18-7-9-19(10-8-18)31(4)35(5,32)33/h7-10,28H,6,11-14,17H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair

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