Compile Data Set for Download or QSAR

Found 754 hits with Last Name = 'reif' and Initial = 'aj'   

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
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50145198 (CHEMBL3765778) Show SMILES Cc1ccc(cc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1)C(C)(C)O Show InChI InChI=1S/C22H29N3O2/c1-14-8-9-15(22(5,6)27)12-16(14)17-10-11-18-19(23-17)24(7)20(26)25(18)13-21(2,3)4/h8-12,27H,13H2,1-7H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Positive allosteric modulation of 5-HT2B receptor (unknown origin)				Bioorg Med Chem Lett 26: 1260-4 (2016) Article DOI: 10.1016/j.bmcl.2016.01.021 BindingDB Entry DOI: 10.7270/Q2NV9M4S
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM50145198 (CHEMBL3765778) Show SMILES Cc1ccc(cc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1)C(C)(C)O Show InChI InChI=1S/C22H29N3O2/c1-14-8-9-15(22(5,6)27)12-16(14)17-10-11-18-19(23-17)24(7)20(26)25(18)13-21(2,3)4/h8-12,27H,13H2,1-7H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Positive allosteric modulation of platelet-activating factor receptor (unknown origin)				Bioorg Med Chem Lett 26: 1260-4 (2016) Article DOI: 10.1016/j.bmcl.2016.01.021 BindingDB Entry DOI: 10.7270/Q2NV9M4S
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132G] (Homo sapiens (Human))	BDBM195601 (GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...) Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	25
Albert Einstein College of Medicine					Assay Description RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...				Nat Chem Biol 11: 878-86 (2015) Article DOI: 10.1038/nchembio.1930 BindingDB Entry DOI: 10.7270/Q2RR1X2G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid synthase (Homo sapiens (Human))	BDBM128366 (US8802864, 132) Show SMILES Fc1cc(ccc1-n1c(C[C@@H]2CCN(C2)C(=O)C2CC2)n[nH]c1=O)-c1ccc2cnccc2c1 |r,wU:10.10,(-3.05,-4.92,;-2.28,-3.59,;-.74,-3.59,;.03,-2.25,;-.74,-.92,;-2.28,-.92,;-3.05,-2.25,;-4.59,-2.25,;-5.5,-1.01,;-5.1,.48,;-3.61,.88,;-2.36,-.03,;-1.12,.88,;-1.59,2.34,;-3.13,2.34,;-.5,3.43,;-.9,4.92,;.98,3.03,;2.07,1.95,;2.47,3.43,;-6.96,-1.48,;-6.96,-3.02,;-5.5,-3.5,;-4.73,-4.83,;1.57,-2.25,;2.34,-3.59,;3.88,-3.59,;4.65,-2.25,;6.19,-2.25,;6.96,-.92,;6.19,.41,;4.65,.41,;3.88,-.92,;2.34,-.92,)| Show InChI InChI=1S/C26H24FN5O2/c27-22-13-19(18-3-4-21-14-28-9-7-20(21)12-18)5-6-23(22)32-24(29-30-26(32)34)11-16-8-10-31(15-16)25(33)17-1-2-17/h3-7,9,12-14,16-17H,1-2,8,10-11,15H2,(H,30,34)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	n/a
GlaxoSmithKline LLC US Patent					Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...				US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM195601 (GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...) Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	25
Albert Einstein College of Medicine					Assay Description RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...				Nat Chem Biol 11: 878-86 (2015) Article DOI: 10.1038/nchembio.1930 BindingDB Entry DOI: 10.7270/Q2RR1X2G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM195601 (GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...) Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	25
Albert Einstein College of Medicine					Assay Description RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...				Nat Chem Biol 11: 878-86 (2015) Article DOI: 10.1038/nchembio.1930 BindingDB Entry DOI: 10.7270/Q2RR1X2G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid synthase (Homo sapiens (Human))	BDBM128362 (US8802864, 42) Show SMILES Cc1cc(ccc1-n1c(C[C@@H]2CCN(C2)C(=O)C2CC2)n[nH]c1=O)-c1ccc2cc[nH]c2c1 |r,wU:10.10,(-2.73,-4.92,;-1.96,-3.59,;-.42,-3.59,;.35,-2.25,;-.42,-.92,;-1.96,-.92,;-2.73,-2.25,;-4.27,-2.25,;-5.17,-1.01,;-4.78,.48,;-3.29,.88,;-2.04,-.03,;-.8,.88,;-1.27,2.34,;-2.81,2.34,;-.18,3.43,;-.58,4.92,;1.3,3.03,;2.39,1.95,;2.79,3.43,;-6.64,-1.48,;-6.64,-3.02,;-5.17,-3.5,;-4.4,-4.83,;1.89,-2.25,;2.66,-3.59,;4.2,-3.59,;4.97,-2.25,;6.48,-1.93,;6.64,-.4,;5.23,.23,;4.2,-.92,;2.66,-.92,)| Show InChI InChI=1S/C26H27N5O2/c1-16-12-20(21-5-2-18-8-10-27-22(18)14-21)6-7-23(16)31-24(28-29-26(31)33)13-17-9-11-30(15-17)25(32)19-3-4-19/h2,5-8,10,12,14,17,19,27H,3-4,9,11,13,15H2,1H3,(H,29,33)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	n/a
GlaxoSmithKline LLC US Patent					Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...				US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM128359 (US8802864, 14) Show SMILES O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc3ccoc3c2)C1 |r| Show InChI InChI=1S/C25H24N4O3/c30-24(19-2-3-19)28-11-9-16(15-28)13-23-26-27-25(31)29(23)21-7-5-17(6-8-21)20-4-1-18-10-12-32-22(18)14-20/h1,4-8,10,12,14,16,19H,2-3,9,11,13,15H2,(H,27,31)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.0	n/a
GlaxoSmithKline LLC US Patent					Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...				US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM119133 ((S)-4-(4-(Benzofuran-5-yl)phenyl)-3-((1-(cycloprop...) Show SMILES O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc3occc3c2)C1 |r| Show InChI InChI=1S/C25H24N4O3/c30-24(18-1-2-18)28-11-9-16(15-28)13-23-26-27-25(31)29(23)21-6-3-17(4-7-21)19-5-8-22-20(14-19)10-12-32-22/h3-8,10,12,14,16,18H,1-2,9,11,13,15H2,(H,27,31)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	n/a
GlaxoSmithKline LLC US Patent					Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...				US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid synthase (Homo sapiens (Human))	BDBM128360 (US8802864, 23) Show SMILES Cn1cnc2cc(ccc12)-c1ccc(cc1)-n1c(C[C@@H]2CCN(C2)C(=O)C2CC2)n[nH]c1=O |r| Show InChI InChI=1S/C25H26N6O2/c1-29-15-26-21-13-19(6-9-22(21)29)17-4-7-20(8-5-17)31-23(27-28-25(31)33)12-16-10-11-30(14-16)24(32)18-2-3-18/h4-9,13,15-16,18H,2-3,10-12,14H2,1H3,(H,28,33)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.0	n/a
GlaxoSmithKline LLC US Patent					Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...				US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM128363 (US8802864, 67) Show SMILES O=C(C1CC1)N1CC(Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc3cc[nH]c3c2)C1 Show InChI InChI=1S/C24H23N5O2/c30-23(18-2-3-18)28-13-15(14-28)11-22-26-27-24(31)29(22)20-7-5-16(6-8-20)19-4-1-17-9-10-25-21(17)12-19/h1,4-10,12,15,18,25H,2-3,11,13-14H2,(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.0	n/a
GlaxoSmithKline LLC US Patent					Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...				US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM128358 (US8802864, 7) Show SMILES Cn1nc(C[C@@H]2CCN(C2)C(=O)C2CC2)n(-c2ccc(cc2)-c2ccc3occc3c2)c1=O |r| Show InChI InChI=1S/C26H26N4O3/c1-28-26(32)30(24(27-28)14-17-10-12-29(16-17)25(31)19-2-3-19)22-7-4-18(5-8-22)20-6-9-23-21(15-20)11-13-33-23/h4-9,11,13,15,17,19H,2-3,10,12,14,16H2,1H3/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.0	n/a
GlaxoSmithKline LLC US Patent					Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...				US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM128365 (US8802864, 116) Show SMILES COc1ccc(cc1)-c1ccc(c(F)c1)-n1c(C[C@@H]2CCN(C2)C(=O)C2CC2)n[nH]c1=O |r,wU:18.19,(6.96,-3.59,;6.19,-2.25,;4.65,-2.25,;3.88,-3.59,;2.34,-3.59,;1.57,-2.25,;2.34,-.92,;3.88,-.92,;.03,-2.25,;-.74,-.92,;-2.28,-.92,;-3.05,-2.25,;-2.28,-3.59,;-3.05,-4.92,;-.74,-3.59,;-4.59,-2.25,;-5.5,-1.01,;-5.1,.48,;-3.61,.88,;-2.36,-.03,;-1.12,.88,;-1.59,2.34,;-3.13,2.34,;-.5,3.43,;-.9,4.92,;.98,3.03,;2.07,1.95,;2.47,3.43,;-6.96,-1.48,;-6.96,-3.02,;-5.5,-3.5,;-4.73,-4.83,)| Show InChI InChI=1S/C24H25FN4O3/c1-32-19-7-4-16(5-8-19)18-6-9-21(20(25)13-18)29-22(26-27-24(29)31)12-15-10-11-28(14-15)23(30)17-2-3-17/h4-9,13,15,17H,2-3,10-12,14H2,1H3,(H,27,31)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	7.0	n/a
GlaxoSmithKline LLC US Patent					Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...				US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM195601 (GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...) Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	25
Albert Einstein College of Medicine					Assay Description For WT IDH1 and IDH2, reactions were conducted at room temperature in 384-well Greiner black microtiter plates in a total volume of 10 μL of ass...				Nat Chem Biol 11: 878-86 (2015) Article DOI: 10.1038/nchembio.1930 BindingDB Entry DOI: 10.7270/Q2RR1X2G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid synthase (Homo sapiens (Human))	BDBM128357 (US8802864, 4) Show SMILES O=C(C1CC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc(cc2)C#N)C1 Show InChI InChI=1S/C24H23N5O2/c25-14-16-1-3-18(4-2-16)19-7-9-21(10-8-19)29-22(26-27-24(29)31)13-17-11-12-28(15-17)23(30)20-5-6-20/h1-4,7-10,17,20H,5-6,11-13,15H2,(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	7.0	n/a
GlaxoSmithKline LLC US Patent					Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...				US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM128361 (US8802864, 38) Show SMILES O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc3OCOc3c2)C1 |r| Show InChI InChI=1S/C24H24N4O4/c29-23(17-1-2-17)27-10-9-15(13-27)11-22-25-26-24(30)28(22)19-6-3-16(4-7-19)18-5-8-20-21(12-18)32-14-31-20/h3-8,12,15,17H,1-2,9-11,13-14H2,(H,26,30)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	158	n/a	n/a	n/a	n/a	7.0	n/a
GlaxoSmithKline LLC US Patent					Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...				US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM128364 (US8802864, 95) Show SMILES CN(C)Cc1ccc(cc1)-c1ccc(cc1)-n1c(C[C@@H]2CCN(C2)C(=O)C2CC2)n[nH]c1=O |r| Show InChI InChI=1S/C26H31N5O2/c1-29(2)16-18-3-5-20(6-4-18)21-9-11-23(12-10-21)31-24(27-28-26(31)33)15-19-13-14-30(17-19)25(32)22-7-8-22/h3-6,9-12,19,22H,7-8,13-17H2,1-2H3,(H,28,33)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	7.0	n/a
GlaxoSmithKline LLC US Patent					Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...				US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491060 (BDBM491430 | US10975056, Example 3 | US10975056, E...) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)C)c1C#N Show InChI InChI=1S/C19H19N5OS/c1-4-13-14(10-20)18(24(2)3)23-19(15(13)11-21)26-16(17(22)25)12-8-6-5-7-9-12/h5-9,16H,4H2,1-3H3,(H2,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE 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))	BDBM491061 (US10975056, Example 4) Show SMILES NC(=O)C(Sc1nc(N2CCCNCC2)c(C#N)c(C2CC2)c1C#N)c1ccccc1 Show InChI InChI=1S/C23H24N6OS/c24-13-17-19(15-7-8-15)18(14-25)23(28-22(17)29-11-4-9-27-10-12-29)31-20(21(26)30)16-5-2-1-3-6-16/h1-3,5-6,15,20,27H,4,7-12H2,(H2,26,30)	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))	BDBM491062 (2-{[3,5-dicyano-4-cyclopropyl-6-(4-ethyl-1,4-diaze...) Show SMILES CCN1CCCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N Show InChI InChI=1S/C25H28N6OS/c1-2-30-11-6-12-31(14-13-30)24-19(15-26)21(17-9-10-17)20(16-27)25(29-24)33-22(23(28)32)18-7-4-3-5-8-18/h3-5,7-8,17,22H,2,6,9-14H2,1H3,(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))	BDBM491063 (US10975056, Example 6) Show SMILES CCCN1CCCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(CC)c1C#N Show InChI InChI=1S/C25H30N6OS/c1-3-11-30-12-8-13-31(15-14-30)24-20(16-26)19(4-2)21(17-27)25(29-24)33-22(23(28)32)18-9-6-5-7-10-18/h5-7,9-10,22H,3-4,8,11-15H2,1-2H3,(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))	BDBM491064 (2-{[3,5-dicyano-4-ethyl-6-(4-ethyl-1,4-diazepan-1-...) Show SMILES CCN1CCCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(CC)c1C#N Show InChI InChI=1S/C24H28N6OS/c1-3-18-19(15-25)23(30-12-8-11-29(4-2)13-14-30)28-24(20(18)16-26)32-21(22(27)31)17-9-6-5-7-10-17/h5-7,9-10,21H,3-4,8,11-14H2,1-2H3,(H2,27,31)	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))	BDBM491071 (US10975056, Example 14) Show SMILES NC(=O)C(Sc1nc(N2CCNC(CO)C2)c(C#N)c(C2CC2)c1C#N)c1ccccc1 Show InChI InChI=1S/C23H24N6O2S/c24-10-17-19(14-6-7-14)18(11-25)23(28-22(17)29-9-8-27-16(12-29)13-30)32-20(21(26)31)15-4-2-1-3-5-15/h1-5,14,16,20,27,30H,6-9,12-13H2,(H2,26,31)	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))	BDBM491073 (US10975056, Example 16) Show SMILES NC(=O)C(Sc1nc(N2CCC(CC2)N2CCOCC2)c(C#N)c(C2CC2)c1C#N)c1ccccc1 Show InChI InChI=1S/C27H30N6O2S/c28-16-21-23(18-6-7-18)22(17-29)27(36-24(25(30)34)19-4-2-1-3-5-19)31-26(21)33-10-8-20(9-11-33)32-12-14-35-15-13-32/h1-5,18,20,24H,6-15H2,(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))	BDBM491074 (2-((3,5-dicyano-4-ethyl-6-(2,8-diazaspiro[4.5]deca...) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC3(CCNC3)CC2)c1C#N Show InChI InChI=1S/C25H28N6OS/c1-2-18-19(14-26)23(31-12-9-25(10-13-31)8-11-29-16-25)30-24(20(18)15-27)33-21(22(28)32)17-6-4-3-5-7-17/h3-7,21,29H,2,8-13,16H2,1H3,(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))	BDBM491080 (US10975056, Example 23) Show SMILES NCC1(O)CCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N Show InChI InChI=1S/C24H26N6O2S/c25-12-17-19(15-6-7-15)18(13-26)23(33-20(21(28)31)16-4-2-1-3-5-16)29-22(17)30-10-8-24(32,14-27)9-11-30/h1-5,15,20,32H,6-11,14,27H2,(H2,28,31)	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))	BDBM491081 (US10975056, Example 24) Show SMILES CNC1CCCN(C1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N Show InChI InChI=1S/C24H26N6OS/c1-28-17-8-5-11-30(14-17)23-18(12-25)20(15-9-10-15)19(13-26)24(29-23)32-21(22(27)31)16-6-3-2-4-7-16/h2-4,6-7,15,17,21,28H,5,8-11,14H2,1H3,(H2,27,31)	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))	BDBM491082 (US10975056, Example 25) Show SMILES NC1CCCN(C1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N Show InChI InChI=1S/C23H24N6OS/c24-11-17-19(14-8-9-14)18(12-25)23(28-22(17)29-10-4-7-16(26)13-29)31-20(21(27)30)15-5-2-1-3-6-15/h1-3,5-6,14,16,20H,4,7-10,13,26H2,(H2,27,30)	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))	BDBM491075 (US10975056, Example 18) Show SMILES CN(C)C1CCCN(C1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N Show InChI InChI=1S/C25H28N6OS/c1-30(2)18-9-6-12-31(15-18)24-19(13-26)21(16-10-11-16)20(14-27)25(29-24)33-22(23(28)32)17-7-4-3-5-8-17/h3-5,7-8,16,18,22H,6,9-12,15H2,1-2H3,(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))	BDBM491077 (US10975056, Example 20) Show SMILES CC1CN(CC(C)N1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N Show InChI InChI=1S/C24H26N6OS/c1-14-12-30(13-15(2)28-14)23-18(10-25)20(16-8-9-16)19(11-26)24(29-23)32-21(22(27)31)17-6-4-3-5-7-17/h3-7,14-16,21,28H,8-9,12-13H2,1-2H3,(H2,27,31)	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))	BDBM491084 (US10975056, Example 27) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccncc2)nc(N(C)C)c1C#N Show InChI InChI=1S/C18H18N6OS/c1-4-12-13(9-19)17(24(2)3)23-18(14(12)10-20)26-15(16(21)25)11-5-7-22-8-6-11/h5-8,15H,4H2,1-3H3,(H2,21,25)	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))	BDBM491204 (US10975056, Example 148) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)NC(=O)C(C)(C)N)c1C#N Show InChI InChI=1S/C26H31N7O2S/c1-4-18-19(14-27)23(33-12-10-17(11-13-33)31-25(35)26(2,3)30)32-24(20(18)15-28)36-21(22(29)34)16-8-6-5-7-9-16/h5-9,17,21H,4,10-13,30H2,1-3H3,(H2,29,34)(H,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))	BDBM491205 (US10975056, Example 149) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)OCCN)c1C#N Show InChI InChI=1S/C24H28N6O2S/c1-2-18-19(14-26)23(30-11-8-17(9-12-30)32-13-10-25)29-24(20(18)15-27)33-21(22(28)31)16-6-4-3-5-7-16/h3-7,17,21H,2,8-13,25H2,1H3,(H2,28,31)	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))	BDBM491209 (US10975056, Example 153) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)OCCOC(=O)[C@@H](N)C(C)C)c1C#N |r| Show InChI InChI=1S/C29H36N6O4S/c1-4-21-22(16-30)27(34-28(23(21)17-31)40-25(26(33)36)19-8-6-5-7-9-19)35-12-10-20(11-13-35)38-14-15-39-29(37)24(32)18(2)3/h5-9,18,20,24-25H,4,10-15,32H2,1-3H3,(H2,33,36)/t24-,25?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG 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))	BDBM491212 (US10975056, Example 156) Show SMILES CCc1c(C#N)c(SCc2ccc(CNC(C)=O)cc2)nc(N2CCC(N)CC2)c1C#N Show InChI InChI=1S/C24H28N6OS/c1-3-20-21(12-25)23(30-10-8-19(27)9-11-30)29-24(22(20)13-26)32-15-18-6-4-17(5-7-18)14-28-16(2)31/h4-7,19H,3,8-11,14-15,27H2,1-2H3,(H,28,31)	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))	BDBM491223 (US10975056, Example 167) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCN2CCNCC2)c1C#N Show InChI InChI=1S/C24H29N7OS/c1-3-18-19(15-25)23(30(2)13-14-31-11-9-28-10-12-31)29-24(20(18)16-26)33-21(22(27)32)17-7-5-4-6-8-17/h4-8,21,28H,3,9-14H2,1-2H3,(H2,27,32)	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))	BDBM491224 (US10975056, Example 168 | US11771711, Reference co...) Show SMILES CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N2CC[C@H](O)C2)c1C#N |r| Show InChI InChI=1S/C21H21N5O2S/c1-2-15-16(10-22)20(26-9-8-14(27)12-26)25-21(17(15)11-23)29-18(19(24)28)13-6-4-3-5-7-13/h3-7,14,18,27H,2,8-9,12H2,1H3,(H2,24,28)/t14-,18+/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))	BDBM491225 (US10975056, Example 170) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCN2CCC(O)(CN)CC2)c1C#N Show InChI InChI=1S/C26H33N7O2S/c1-3-19-20(15-27)24(32(2)13-14-33-11-9-26(35,17-29)10-12-33)31-25(21(19)16-28)36-22(23(30)34)18-7-5-4-6-8-18/h4-8,22,35H,3,9-14,17,29H2,1-2H3,(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))	BDBM491233 (2-((3,5-Dicyano-6-(3,4-dihydro-2,7-naphthyridin-2 ...) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCc3ccncc3C2)c1C#N Show InChI InChI=1S/C25H22N6OS/c1-2-19-20(12-26)24(31-11-9-16-8-10-29-14-18(16)15-31)30-25(21(19)13-27)33-22(23(28)32)17-6-4-3-5-7-17/h3-8,10,14,22H,2,9,11,15H2,1H3,(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))	BDBM491239 (US10975056, Example 186) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)NC(=O)C2(N)COC2)c1C#N Show InChI InChI=1S/C26H29N7O3S/c1-2-18-19(12-27)23(33-10-8-17(9-11-33)31-25(35)26(30)14-36-15-26)32-24(20(18)13-28)37-21(22(29)34)16-6-4-3-5-7-16/h3-7,17,21H,2,8-11,14-15,30H2,1H3,(H2,29,34)(H,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))	BDBM491244 (2-((3,5-Dicyano-6-(dimethylamino)-4-methoxypyridin...) Show SMILES COc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)C)c1C#N Show InChI InChI=1S/C18H17N5O2S/c1-23(2)17-12(9-19)14(25-3)13(10-20)18(22-17)26-15(16(21)24)11-7-5-4-6-8-11/h4-8,15H,1-3H3,(H2,21,24)	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))	BDBM491245 (US10975056, Example 192) Show SMILES CCOc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)C)c1C#N Show InChI InChI=1S/C19H19N5O2S/c1-4-26-15-13(10-20)18(24(2)3)23-19(14(15)11-21)27-16(17(22)25)12-8-6-5-7-9-12/h5-9,16H,4H2,1-3H3,(H2,22,25)	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))	BDBM491246 (US10975056, Example 193) Show SMILES CCOc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCCN(CCO)CC2)c1C#N Show InChI InChI=1S/C24H28N6O3S/c1-2-33-20-18(15-25)23(30-10-6-9-29(11-12-30)13-14-31)28-24(19(20)16-26)34-21(22(27)32)17-7-4-3-5-8-17/h3-5,7-8,21,31H,2,6,9-14H2,1H3,(H2,27,32)	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))	BDBM491249 (US10975056, Example 196) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccc(F)cc2)nc(N2CCNCC2)c1C#N Show InChI InChI=1S/C21H21FN6OS/c1-2-15-16(11-23)20(28-9-7-26-8-10-28)27-21(17(15)12-24)30-18(19(25)29)13-3-5-14(22)6-4-13/h3-6,18,26H,2,7-10H2,1H3,(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))	BDBM491251 (US10975056, Example 198) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccc(F)cc2)nc(N(C)C)c1C#N Show InChI InChI=1S/C19H18FN5OS/c1-4-13-14(9-21)18(25(2)3)24-19(15(13)10-22)27-16(17(23)26)11-5-7-12(20)8-6-11/h5-8,16H,4H2,1-3H3,(H2,23,26)	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))	BDBM491252 (US10975056, Example 199) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccc(F)cn2)nc(N(C)C)c1C#N Show InChI InChI=1S/C18H17FN6OS/c1-4-11-12(7-20)17(25(2)3)24-18(13(11)8-21)27-15(16(22)26)14-6-5-10(19)9-23-14/h5-6,9,15H,4H2,1-3H3,(H2,22,26)	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))	BDBM491534 (US10975056, Example 517) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCN2CC[C@@H](C2)N(C)C)c1C#N |r| Show InChI InChI=1S/C26H33N7OS/c1-5-20-21(15-27)25(32(4)13-14-33-12-11-19(17-33)31(2)3)30-26(22(20)16-28)35-23(24(29)34)18-9-7-6-8-10-18/h6-10,19,23H,5,11-14,17H2,1-4H3,(H2,29,34)/t19-,23?/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))	BDBM491535 (US10975056, Example 518) Show SMILES CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N2CC[C@@H](N)[C@H](F)C2)c1C#N |r| Show InChI InChI=1S/C22H23FN6OS/c1-2-14-15(10-24)21(29-9-8-18(26)17(23)12-29)28-22(16(14)11-25)31-19(20(27)30)13-6-4-3-5-7-13/h3-7,17-19H,2,8-9,12,26H2,1H3,(H2,27,30)/t17-,18-,19-/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))	BDBM491536 (US10975056, Example 519) Show SMILES CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N2CC[C@H](N)[C@@H](F)C2)c1C#N |r| Show InChI InChI=1S/C22H23FN6OS/c1-2-14-15(10-24)21(29-9-8-18(26)17(23)12-29)28-22(16(14)11-25)31-19(20(27)30)13-6-4-3-5-7-13/h3-7,17-19H,2,8-9,12,26H2,1H3,(H2,27,30)/t17-,18-,19+/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))	BDBM491537 (US10975056, Example 520) Show SMILES CCN(CC)CCN(C)c1nc(SCc2ccc(CNC(=O)CN)cc2)c(C#N)c(CC)c1C#N Show InChI InChI=1S/C26H35N7OS/c1-5-21-22(14-27)25(32(4)12-13-33(6-2)7-3)31-26(23(21)15-28)35-18-20-10-8-19(9-11-20)17-30-24(34)16-29/h8-11H,5-7,12-13,16-18,29H2,1-4H3,(H,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

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