TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T87686 Histone-lysine N-methyltransferase D06IAR Adenosine Approved 60961 C10H13N5O4 267.24 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N IC50 = 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase B1R7SU 1-{[6-(3-Fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,2,3-benzotriazole Investigative 2030255 C16H10FN7S 351.4 C1=CC=C2C(=C1)N=NN2CC3=NN=C4N3N=C(S4)C5=CC(=CC=C5)F IC50 = 55780 nM Poor binder T87686 Histone-lysine N-methyltransferase B1XVY8 (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-[(pyridin-4-ylmethylamino)methyl]oxolane-3,4-diol Investigative 70677678 C16H19N7O3 357.37 C1=CN=CC=C1CNC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase 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 T87686 Histone-lysine N-methyltransferase B3J5FV 5-Benzyloxy-2-amino-1-methyl-1H-indole-3-carbonitrile Investigative 22180710 C17H15N3O 277.32 CN1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=C1N)C#N IC50 ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase B3NWJ8 (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-[(thiophen-2-ylmethylamino)methyl]oxolane-3,4-diol Investigative 70677679 C15H18N6O3S 362.4 C1=CSC(=C1)CNC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase B42ZCK S-Adenosyl-3-thiopropylamine Investigative 171251 C13H20N6O3S 340.4 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCN)O)O)N Ki = 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase B4YX9S Ethyl N-[3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]carbamate Investigative 70677812 C16H24N6O5S 412.5 CCOC(=O)NCCCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase B53MAQ 5'-Deoxy-5'-(2-hydroxyethylthio)adenosine Investigative 9862185 C12H17N5O4S 327.36 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCO)O)O)N Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase B62GKH 3-[3-(1H-1,2,3-Benzotriazol-1-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl methyl ether Investigative 1972282 C17H13N7OS 363.4 COC1=CC=CC(=C1)C2=NN3C(=NN=C3S2)CN4C5=CC=CC=C5N=N4 IC50 = 64150 nM Poor binder T87686 Histone-lysine N-methyltransferase B7V2YB 5'-Deoxy-5'-(Prop-2-Yn-1-Ylamino)adenosine Investigative 56835775 C13H16N6O3 304.3 C#CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase B81NIO N-[3-[[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]benzamide Investigative 70677815 C20H24N6O4S 444.5 C1=CC=C(C=C1)C(=O)NCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase B86SXE 5'-S-(3-Aminophenyl)-5'-thioadenosine Investigative 60074592 C16H18N6O3S 374.4 C1=CC(=CC(=C1)SC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)N Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase B8IH2L 1-[3-[[(1S,2R,3S,4R)-4-(6-Aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea Investigative 76331683 C28H42N8O3 538.7 CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=CN=C43)N Ki ~ 50000 nM Poor binder T87686 Histone-lysine N-methyltransferase BA4M7I (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-[(pyridin-2-ylmethylamino)methyl]oxolane-3,4-diol Investigative 70677532 C16H19N7O3 357.37 C1=CC=NC(=C1)CNC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase BB6TG7 (2R)-2-Amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxypropanamide Investigative 118735772 C18H17N5O3 351.4 C1=CC(=CC=C1NC(=O)[C@@H](CO)N)OC2=CC3=C(C=C2)NC(=C3C#N)N IC50 ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase BB8M4L (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-[(furan-2-ylmethylamino)methyl]oxolane-3,4-diol Investigative 70677680 C15H18N6O4 346.34 C1=COC(=C1)CNC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase 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 T87686 Histone-lysine N-methyltransferase BEG3P8 (3R)-N-Methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine Investigative 137655088 C12H17N5 231.3 CN[C@@H]1CCCN(C1)C2=NC=NC3=C2C=CN3 IC50 = 141000 nM Poor binder T87686 Histone-lysine N-methyltransferase BEX4M1 Chembl4281164 Investigative 22180716 C17H16N4O 292.33 CN1C2=C(C=C(C=C2)OCC3=CC(=CC=C3)N)C(=C1N)C#N IC50 ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase BF54BM Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12 Investigative 118735771 C18H17N5O2 335.4 CN1C2=C(C=C(C=C2)OC3=CC=C(C=C3)NC(=O)CN)C(=C1N)C#N IC50 ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase BIX9T0 N-[3-[[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]naphthalene-2-carboxamide Investigative 70677816 C24H26N6O4S 494.6 C1=CC=C2C=C(C=CC2=C1)C(=O)NCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase BJ40VS (2R,3S,4R,5R)-2-[(3-Aminopropylamino)methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol Investigative 9836890 C13H21N7O3 323.35 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCCCN)O)O)N Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase BKC7N0 (2s)-2-Amino-N-[4-[(2-Amino-3-Cyano-1h-Indol-5-Yl)oxy]phenyl]-3-Hydroxy-Propanamide Investigative 58619539 C18H17N5O3 351.4 C1=CC(=CC=C1NC(=O)[C@H](CO)N)OC2=CC3=C(C=C2)NC(=C3C#N)N IC50 ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase 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 T87686 Histone-lysine N-methyltransferase BN65TK N-[3-[[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-2-phenylacetamide Investigative 70677814 C21H26N6O4S 458.5 C1=CC=C(C=C1)CC(=O)NCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase BNH3P5 5'-S-Benzyl-5'-thioadenosine Investigative 44401736 C17H19N5O3S 373.4 C1=CC=C(C=C1)CSC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase BOB86T 5-Benzyloxy-2-amino-1H-indole-3-carbonitrile Investigative 22180707 C16H13N3O 263.29 C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3C#N)N IC50 ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase BOTA41 3-[[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]propanoic acid Investigative 24764113 C13H17N5O5S 355.37 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCC(=O)O)O)O)N Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase BPT87C Methyl 2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate Investigative 1002773 C18H17N3O4S 371.4 COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)OC IC50 ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase BQ61IN Tert-butyl N-[3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]carbamate Investigative 70677682 C18H28N6O5S 440.5 CC(C)(C)OC(=O)NCCCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O Ki = 50000 nM Poor binder T87686 Histone-lysine N-methyltransferase BR2M0B 1-{[6-(3,4-Dimethylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzimidazole Investigative 3159434 C19H16N6S 360.4 CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)CN4C=NC5=CC=CC=C54)C IC50 = 63970 nM Poor binder T87686 Histone-lysine N-methyltransferase BUT5J4 (2R,3S,4R,5R)-2-[[(3-Aminophenyl)methyl-prop-2-enylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol Investigative 70677681 C20H25N7O3 411.5 C=CCN(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)CC4=CC(=CC=C4)N Ki ~ 100000 nM Poor binder T87686 Histone-lysine N-methyltransferase BVD01K Chembl4295161 Investigative 145993747 C21H21N5O2 375.4 C1CC1CN2C3=C(C=C(C=C3)OC4=CC=C(C=C4)NC(=O)CN)C(=C2N)C#N IC50 = 96000 nM Poor binder T87686 Histone-lysine N-methyltransferase BVOJ07 CCn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12 Investigative 118735770 C19H19N5O2 349.4 CCN1C2=C(C=C(C=C2)OC3=CC=C(C=C3)NC(=O)CN)C(=C1N)C#N IC50 = 99000 nM Poor binder T87686 Histone-lysine N-methyltransferase 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