TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T53251 Histone-lysine N-methyltransferase EHMT2 D02HFD Glutathione Approved 124886 C10H17N3O6S 307.33 C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N IC50 ~ 100000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 D07BDD BAM-002 Approved 65359 C20H32N6O12S2 612.6 C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N IC50 ~ 100000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B01LJI (2S)-2-Amino-5-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methyl-(2-iodoethyl)amino]pentanoic acid Investigative 56642706 C18H28IN7O5 549.4 CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCC[C@@H](C(=O)O)N)CCI)O)O IC50 ~ 100000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B0O9LD 5'-[(R)-1-Amino-2-cyclopropylethyl]-5'-deoxyadenosine Investigative 132609264 C15H22N6O3 334.37 C1CC1C[C@H](C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)N IC50 = 67200 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B10XUQ (1S,4S,7S,9S)-4-(Hydroxymethyl)-9-[(1S,4S,7S,9S)-4-(hydroxymethyl)-5-methyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-5-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione Investigative 46192085 C30H32N6O6 572.6 CN1[C@H](C(=O)N2[C@H](C1=O)C[C@@]3([C@H]2NC4=CC=CC=C43)[C@@]56C[C@H]7C(=O)N([C@H](C(=O)N7[C@@H]5NC8=CC=CC=C68)CO)C)CO IC50 ~ 50000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B26QPW 6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]quinazolin-4-amine Investigative 46901789 C29H47N7O3 541.7 CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCOCCN5CCCC5 IC50 = 57000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B29ZVO 6,7-Dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine Investigative 78357767 C23H35N5O2 413.6 COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC3)NCCCCCN4CCCC4)OC IC50 ~ 100000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B2Y0HT (2R,3S,4R,5R)-2-[2-Amino-3-(3,4-dimethoxyphenyl)propyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol Investigative 90655766 C20H26N6O5 430.5 COC1=C(C=C(C=C1)CC(C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)N)OC IC50 = 157000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B3E1WA (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-pentyloxolane-3,4-diol Investigative 86288827 C14H21N5O3 307.35 CCCCC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O IC50 = 103000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B3SKQ1 6-Deoxy-5a,6-didehydrogliotoxin Investigative 9883072 C13H12N2O3S2 308.4 CN1C(=O)[C@]23CC4=CC=CC=C4N2C(=O)[C@]1(SS3)CO IC50 = 55000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B3V5TI 6,7-Dimethoxy-2-(4-methylpiperazin-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine Investigative 44605024 C21H32N6O2 400.5 CN1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)N4CCN(CC4)C IC50 = 150000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B4ZO3K 6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-[3-[methyl(propyl)amino]propoxy]quinazolin-4-amine Investigative 46901621 C28H47N7O2 513.7 CCCN(C)CCCOC1=C(C=C2C(=C1)N=C(N=C2NC3CCN(CC3)C)N4CCCN(CC4)C)OC IC50 = 51000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B59BFA 7-[5-(Dimethylamino)pentoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine Investigative 46901454 C28H47N7O2 513.7 CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCCCCN(C)C IC50 = 95000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B5W3VF Chembl4283782 Investigative 89821586 C33H39N5O2 537.7 COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCCC3)NC4CCN(CC4)CC5=CC=CC=C5)OCC6=CC=CC=C6 IC50 ~ 50000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B7O9XY (1S,3R,11R,14R)-14-(Hydroxymethyl)-3-[(1S,3R,11R,14R)-14-(hydroxymethyl)-15-methyl-13,16-dioxo-17-thia-10,12,15-triazapentacyclo[12.2.1.01,12.03,11.04,9]heptadeca-4,6,8-trien-3-yl]-15-methyl-17-thia-10,12,15-triazapentacyclo[12.2.1.01,12.03,11.04,9]heptadeca-4,6,8-triene-13,16-dione Investigative 71717376 C30H28N6O6S2 632.7 CN1C(=O)[C@@]23C[C@]4([C@@H](N2C(=O)[C@]1(S3)CO)NC5=CC=CC=C54)[C@]67C[C@@]89C(=O)N([C@](S8)(C(=O)N9[C@H]6NC1=CC=CC=C71)CO)C IC50 ~ 100000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B7WQU2 N-(4-((2-Amino-6-methylpyrimidin-4-yl)amino)phenyl)-4-(quinolin-4-ylamino)benzamide Investigative 24858111 C27H23N7O 461.5 CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=NC5=CC=CC=C54 IC50 = 59000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B80TXL Ninhydrin Investigative 10236 C9H6O4 178.14 C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O IC50 = 54000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B81UOK Bisdethiobis(methylthio)gliotoxin Investigative 194564 C15H20N2O4S2 356.5 CN1C(=O)[C@@]2(CC3=CC=C[C@@H]([C@H]3N2C(=O)[C@@]1(CO)SC)O)SC IC50 ~ 100000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B87AFH Chembl4281110 Investigative 145982395 C29H38N4O3 490.6 COC1CCN(CC1)C2=CC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CC5=CC=CC=C5)OC)OC IC50 ~ 50000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B8K7OX 7-[3-(4,4-Difluoropiperidin-1-yl)propoxy]-6-methoxy-2-(oxan-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine Investigative 72714644 C30H45F2N5O3 561.7 CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCC(CC4)(F)F)C5CCOCC5 IC50 ~ 50000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B8VQ0F (2S)-2-Amino-5-[[(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-(2-iodoethyl)amino]pentanoic acid Investigative 56642708 C24H32IN7O5 625.5 C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CN(CCC[C@@H](C(=O)O)N)CCI)O)O IC50 ~ 100000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 B8YU7O 7-[3-(Diethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine Investigative 46901457 C28H47N7O2 513.7 CCN(CC)CCCOC1=C(C=C2C(=C1)N=C(N=C2NC3CCN(CC3)C)N4CCCN(CC4)C)OC IC50 = 52000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BB3FO8 Dehydrobis(methylthio)gliotoxin Investigative 13989139 C15H18N2O4S2 354.4 CN1C(=O)[C@@]2(CC3=C(N2C(=O)[C@@]1(CO)SC)C(=CC=C3)O)SC IC50 = 58000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BD3X9I N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-indazole-4-carboxamide Investigative 67466175 C29H35N7O2 513.6 CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C)C(C)C)C IC50 ~ 100000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BH06OY 7-[2-(Dimethylamino)ethoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine Investigative 46901285 C25H41N7O2 471.6 CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCN(C)C IC50 = 110000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BH48PI N'-[2-[6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]oxyethyl]-N,N,N'-trimethylethane-1,2-diamine Investigative 46901935 C28H48N8O2 528.7 CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCN(C)CCN(C)C IC50 = 173000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BJR40Y 7-[4-(Dimethylamino)butoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine Investigative 46901453 C27H45N7O2 499.7 CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCCCN(C)C IC50 = 110000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BK51PI (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(3-phenylpropyl)oxolane-3,4-diol Investigative 90655765 C18H21N5O3 355.4 C1=CC=C(C=C1)CCC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O IC50 = 190000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BKZ52X (1R,4R,7R,9R)-4-(Hydroxymethyl)-9-[(1R,4R,7R,9R)-4-(hydroxymethyl)-5-methyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-5-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione Investigative 46192084 C30H32N6O6 572.6 CN1[C@@H](C(=O)N2[C@@H](C1=O)C[C@]3([C@@H]2NC4=CC=CC=C43)[C@]56C[C@@H]7C(=O)N([C@@H](C(=O)N7[C@H]5NC8=CC=CC=C68)CO)C)CO IC50 ~ 50000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BLA4S9 N-[(6-Methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide Investigative 54596764 C31H39N7O2 541.7 CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C)C(C)C IC50 ~ 100000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BQ5LJ1 Cysteamine Investigative 6058 C2H7NS 77.15 C(CS)N IC50 ~ 100000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BRP8M5 7-(5-Aminopentoxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine Investigative 46901787 C26H43N7O2 485.7 CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCCCCN IC50 = 110000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BT49KQ (2R,3S,4R,5R)-2-[(2S)-2-Amino-3-cyclobutylpropyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol Investigative 137640823 C16H24N6O3 348.4 C1CC(C1)C[C@@H](C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)N IC50 = 169000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BV61WA 1-((2-(1H-Indol-3-yl)ethyl)amino)-3-(9H-carbazol-9-yl)-propan-2-ol Investigative 16451230 C25H25N3O 383.5 C1=CC=C2C(=C1)C(=CN2)CCNCC(CN3C4=CC=CC=C4C5=CC=CC=C53)O IC50 ~ 150000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BVM1C8 7-[3-(Dimethylamino)propoxy]-6-Methoxy-2-(4-Methyl-1,4-Diazepan-1-Yl)-N-(1-Methylpiperidin-4-Yl)quinazolin-4-Amine Investigative 44251522 C26H43N7O2 485.7 CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCCN(C)C IC50 = 57000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BW86ZU Bis(dethio)-10a-methylthio-3a-deoxy-3,3a-didehydrogliotoxin Investigative 57333568 C14H16N2O3S 292.36 CN1C(=C)C(=O)N2[C@@H]3[C@H](C=CC=C3C[C@]2(C1=O)SC)O IC50 ~ 100000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BWR6L0 (2R,3S,4R,5R)-2-[(2S)-2-Amino-3-cyclopentylpropyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol Investigative 137643972 C17H26N6O3 362.4 C1CCC(C1)C[C@@H](C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)N IC50 = 191300 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 BY94KF 6-Methoxy-7-[3-(methylamino)propoxy]-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine Investigative 46901456 C25H41N7O2 471.6 CNCCCOC1=C(C=C2C(=C1)N=C(N=C2NC3CCN(CC3)C)N4CCCN(CC4)C)OC IC50 = 120000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 D02TVQ GSK343 Investigative 71268957 C31H39N7O2 541.7 CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C IC50 ~ 100000 nM Poor binder T53251 Histone-lysine N-methyltransferase EHMT2 D0L5LN ANTHRAQUINONE Investigative 6780 C14H8O2 208.21 C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O IC50 ~ 100000 nM Poor binder