TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T39519 Lysine N-methyltransferase 1A 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 T39519 Lysine N-methyltransferase 1A B3RL9Z (2s)-2-Azanyl-4-[[(2s,3s,4r,5r)-5-[6-(Methylamino)purin-9-Yl]-3,4-Bis(Oxidanyl)oxolan-2-Yl]methylsulfanyl]butanoic Acid Investigative 53377508 C15H22N6O5S 398.4 CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O Ki ~ 100000 nM Poor binder T39519 Lysine N-methyltransferase 1A 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 T39519 Lysine N-methyltransferase 1A 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 T39519 Lysine N-methyltransferase 1A 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 T39519 Lysine N-methyltransferase 1A BF1NH9 1-(4-Tert-butylphenyl)-3-[3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(prop-2-enylamino)purin-9-yl]oxolan-2-yl]methyl-propan-2-ylamino]propyl]urea Investigative 70676141 C30H44N8O4 580.7 CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)NCC=C)O)O Ki ~ 100000 nM Poor binder T39519 Lysine N-methyltransferase 1A BH63QB 1-[3-[[(2R,3S,4R,5R)-5-[6-(Benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea Investigative 70676142 C34H46N8O4 630.8 CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)NCC5=CC=CC=C5)O)O Ki ~ 100000 nM Poor binder T39519 Lysine N-methyltransferase 1A BJM1F7 1-[3-[[(1R,2R,3S,4R)-4-(6-Aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea Investigative 76328022 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 T39519 Lysine N-methyltransferase 1A BK60CR 1-(4-Tert-butylphenyl)-3-[3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methyl-propan-2-ylamino]propyl]urea Investigative 70676140 C28H42N8O4 554.7 CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)NC)O)O Ki ~ 100000 nM Poor binder T39519 Lysine N-methyltransferase 1A 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 T39519 Lysine N-methyltransferase 1A BOWZ98 1-[3-[[(3R,4S,5R)-3-(6-Aminopurin-9-yl)-4,5-dihydroxycyclopenten-1-yl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea Investigative 76328021 C28H40N8O3 536.7 CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)CC2=C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=CN=C43)N Ki ~ 50000 nM Poor binder T39519 Lysine N-methyltransferase 1A 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 T39519 Lysine N-methyltransferase 1A BW20ZO 5'-[(3-{[(4-Tert-Butylphenyl)carbamoyl]amino}propyl)(Propan-2-Yl)amino]-5'-Deoxyadenosine Investigative 56951879 C27H40N8O4 540.7 CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O Ki ~ 50000 nM Poor binder T39519 Lysine N-methyltransferase 1A 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