TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T17345 Dihydrofolate reductase D0Y4GO Pemetrexed Approved 135410875 C20H21N5O6 427.4 . IC50 = 66000 nM Poor binder T17345 Dihydrofolate reductase B05VWL 2,4-Pyrimidinediamine, 5-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]- Investigative 23161237 C14H17N5 255.32 C1CN(CC2=CC=CC=C21)CC3=CN=C(N=C3N)N IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase B06RLA 1-Cyclopropyl-7-[4-[[1-[(2,4-diaminopyrimidin-5-yl)methyl]triazol-4-yl]methyl]piperazin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid Investigative 57404326 C24H26FN11O3 535.5 C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)N4CCN(CC4)CC5=CN(N=N5)CC6=CN=C(N=C6N)N)F)C(=O)O IC50 = 50000 nM Poor binder T17345 Dihydrofolate reductase B13YGS 10-[(4-Methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride Investigative 56658456 C15H22ClN5O 323.82 COC1=CC=C(C=C1)CN2C(=NC(=NC23CCCC3)N)N.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase B1H5TD 10-[(4-Methylphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride Investigative 56679011 C15H22ClN5 307.82 CC1=CC=C(C=C1)CN2C(=NC(=NC23CCCC3)N)N.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase B2A9IH 5-((1-(3-Chlorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diamine Investigative 25007427 C21H24ClN5O 397.9 C1CN(CCC1COC2=CC=CC3=C2C(=NC(=N3)N)N)CC4=CC(=CC=C4)Cl IC50 = 55200 nM Poor binder T17345 Dihydrofolate reductase B2QNO1 5-(3-Chlorobenzyloxy)quinazoline-2,4-diamine Investigative 11673839 C15H13ClN4O 300.74 C1=CC(=CC(=C1)Cl)COC2=CC=CC3=C2C(=NC(=N3)N)N IC50 = 98000 nM Poor binder T17345 Dihydrofolate reductase B2SLA9 5-(3,4-Dimethoxy-5-{(1e)-3-Oxo-3-[(1s)-1-Propylphthalazin-2(1h)-Yl]prop-1-En-1-Yl}benzyl)pyrimidine-2,4-Diamine Investigative 42627761 C27H30N6O3 486.6 CCC[C@H]1C2=CC=CC=C2C=NN1C(=O)/C=C/C3=C(C(=CC(=C3)CC4=CN=C(N=C4N)N)OC)OC IC50 = 110000 nM Poor binder T17345 Dihydrofolate reductase B2X8DE 5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine Investigative 23729147 C21H24FN5O 381.4 C1CN(CCC1COC2=CC=CC3=C2C(=NC(=N3)N)N)CC4=CC=CC=C4F IC50 ~ 125000 nM Poor binder T17345 Dihydrofolate reductase B3K8HN 5-(((2-Methylpyridin-3-yl)oxy)methyl)quinazoline-2,4-diamine Investigative 137636390 C15H15N5O 281.31 CC1=C(C=CC=N1)OCC2=C3C(=CC=C2)N=C(N=C3N)N IC50 ~ 150000 nM Poor binder T17345 Dihydrofolate reductase B46INS 5-[[4-[5-Chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]methyl]pyrimidine-2,4-diamine Investigative 134154523 C23H24ClF3N6O 492.9 C1CN(CCN1CC2=CN=C(N=C2N)N)C3=C(C=CC(=C3)Cl)OCC4=CC(=CC=C4)C(F)(F)F IC50 ~ 75000 nM Poor binder T17345 Dihydrofolate reductase B4AOF9 6-Ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride Investigative 56668842 C14H22ClN5 295.81 CCC1(N=C(N=C(N1CC2=CC=C(C=C2)C)N)N)C.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase B4K6CP 10-[(3,4-Dichlorophenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride Investigative 53387837 C14H18Cl3N5 362.7 C1CCC2(C1)N=C(N=C(N2CC3=CC(=C(C=C3)Cl)Cl)N)N.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase B57WPO 5-[(4-Methylphenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride Investigative 56679013 C16H24ClN5 321.8 CC1=CC=C(C=C1)CN2C(=NC(=NC23CCCCC3)N)N.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase B59JEI 6-[[(4-Acetylphenyl)-2-propynylamino]methyl]-4(3H)-quinazolinone Investigative 135855760 C20H17N3O2 331.4 CC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)N=CNC3=O IC50 = 100000 nM Poor binder T17345 Dihydrofolate reductase B5M7QR (E)-3-[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-1-phenylprop-2-en-1-one;hydrochloride Investigative 127032512 C20H22ClN5O 383.9 CC1(N=C(N=C(N1C2=CC=CC(=C2)/C=C/C(=O)C3=CC=CC=C3)N)N)C.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase B5S1IN 5-[(3,4,5-Trimethoxyphenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride Investigative 56658458 C18H28ClN5O3 397.9 COC1=CC(=CC(=C1OC)OC)CN2C(=NC(=NC23CCCCC3)N)N.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase B5YC6A Chembl4227744 Investigative 145968635 C18H15N5O 317.3 C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=NC3=C(C=C2)N=C(N=C3N)N IC50 = 70510 nM Poor binder T17345 Dihydrofolate reductase B68LGH 6-{[Prop-2-ynyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl}-3H-quinazolin-4-one Investigative 135855759 C21H21N3O4 379.4 COC1=CC(=CC(=C1OC)OC)N(CC#C)CC2=CC3=C(C=C2)N=CNC3=O IC50 = 66600 nM Poor binder T17345 Dihydrofolate reductase B72PVU 2-{4-[(4-Amino-2-methyl-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid Investigative 15616238 C20H21N7O5 439.4 CC1=NC2=NC=C(N=C2C(=N1)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O IC50 ~ 50000 nM Poor binder T17345 Dihydrofolate reductase B7DX0Z 6-Ethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride Investigative 56682331 C14H22ClN5O 311.81 CCC1(N=C(N=C(N1CC2=CC=C(C=C2)OC)N)N)C.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase B7L4BW 1,1-Bis(4-hydroxyphenyl)benzo[e]isobenzofuran-3-one Investigative 16086910 C24H16O4 368.4 C1=CC=C2C(=C1)C=CC3=C2C(OC3=O)(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O Ki = 110000 nM Poor binder T17345 Dihydrofolate reductase B7M2AC (3-Chlorophenyl)(4-((2,4-diaminoquinazolin-5-yloxy)methyl)piperidin-1-yl)methanone Investigative 25007788 C21H22ClN5O2 411.9 C1CN(CCC1COC2=CC=CC3=C2C(=NC(=N3)N)N)C(=O)C4=CC(=CC=C4)Cl IC50 ~ 125000 nM Poor binder T17345 Dihydrofolate reductase B8MDG2 5-[(4-Methoxyphenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride Investigative 56668844 C16H24ClN5O 337.8 COC1=CC=C(C=C1)CN2C(=NC(=NC23CCCCC3)N)N.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase B95ZTV 1-[(4-Chlorophenyl)methyl]-6-ethyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride Investigative 56675714 C13H19Cl2N5 316.2 CCC1(N=C(N=C(N1CC2=CC=C(C=C2)Cl)N)N)C.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase B9SK0J 6,6-Dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride Investigative 56668840 C15H24ClN5O3 357.83 CC1(N=C(N=C(N1CC2=CC(=C(C(=C2)OC)OC)OC)N)N)C.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase B9WG8E 2-Amino-5-(4-nitrophenylthio)-6-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one Investigative 135511915 C13H11N5O3S 317.33 CC1=C(C2=C(N1)N=C(NC2=O)N)SC3=CC=C(C=C3)[N+](=O)[O-] IC50 ~ 54000 nM Poor binder T17345 Dihydrofolate reductase BA5UO4 4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzonitrile Investigative 135855753 C19H15N5O 329.4 C#CCN(CC1=CC2=C(C=C1)N=C(NC2=O)N)C3=CC=C(C=C3)C#N IC50 = 66600 nM Poor binder T17345 Dihydrofolate reductase BAZ24W 5-[(4-Chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine Investigative 56665414 C15H20ClN5 305.8 C1CCC2(CC1)N=C(N=C(N2CC3=CC=C(C=C3)Cl)N)N IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase BBL27Q 3,3-Bis(3-fluoro-4-hydroxy-phenyl)benzo[g]isobenzofuran-1-one Investigative 16086917 C24H14F2O4 404.4 C1=CC=C2C(=C1)C=CC3=C2C(=O)OC3(C4=CC(=C(C=C4)O)F)C5=CC(=C(C=C5)O)F Ki = 109000 nM Poor binder T17345 Dihydrofolate reductase BC0J1H (E)-3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-1-phenylprop-2-en-1-one;hydrochloride Investigative 127033994 C20H22ClN5O 383.9 CC1(N=C(N=C(N1C2=CC=C(C=C2)/C=C/C(=O)C3=CC=CC=C3)N)N)C.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase BCS56B 2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid Investigative 135436405 C21H25N5O6 443.5 C1C(CNC2=C1C(=O)NC(=N2)N)CCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase BEL65U (2-Chlorophenyl)-[4-(2,4-diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]methanone Investigative 25002412 C21H22ClN5O2 411.9 C1CN(CCC1COC2=CC=CC3=C2C(=NC(=N3)N)N)C(=O)C4=CC=CC=C4Cl IC50 ~ 125000 nM Poor binder T17345 Dihydrofolate reductase BFTS78 3-(5-((2,4-Diaminopyrimidin-5-yl)methyl)-3-hydroxy-2-methoxyphenyl)-1-(1-propylphthalazin-2(1H)-yl)prop-2-en-1-one Investigative 45267934 C26H28N6O3 472.5 CCCC1C2=CC=CC=C2C=NN1C(=O)/C=C/C3=C(C(=CC(=C3)CC4=CN=C(N=C4N)N)O)OC IC50 = 110000 nM Poor binder T17345 Dihydrofolate reductase BGW85K Chembl4169358 Investigative 21705470 C16H14ClN5O 327.77 C1=CC(=CC=C1COC2=CC=C(C=C2)C3=NC(=NC(=N3)N)N)Cl IC50 = 83300 nM Poor binder T17345 Dihydrofolate reductase BI68LM 5-((1-(2-Fluorophenylsulfonyl)piperidin-4-yl)methoxy)quinazoline-2,4-diamine Investigative 25002763 C20H22FN5O3S 431.5 C1CN(CCC1COC2=CC=CC3=C2C(=NC(=N3)N)N)S(=O)(=O)C4=CC=CC=C4F IC50 ~ 125000 nM Poor binder T17345 Dihydrofolate reductase BIM7X6 Chembl4229201 Investigative 145989276 C16H13N5O 291.31 C1=CC=C(C=C1)C(=O)/C=C/C2=NC3=C(C=C2)N=C(N=C3N)N IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase BJ36XB (2S)-2-[[4-[Acetyl-[(2,4-diamino-5-formyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid Investigative 71462050 C23H27N7O7 513.5 CC(=O)N(CC1CCC2=C(N1C=O)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase BJPX80 5-[(3,4-Dichlorophenyl)methyl]-1,3,5-triazaspiro[5.6]dodeca-1,3-diene-2,4-diamine;hydrochloride Investigative 56665415 C16H22Cl3N5 390.7 C1CCCC2(CC1)N=C(N=C(N2CC3=CC(=C(C=C3)Cl)Cl)N)N.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase BLJR30 6-Phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine Investigative 12517705 C12H11N5O 241.25 C1C(=NC2=C(N=C(N=C2O1)N)N)C3=CC=CC=C3 IC50 = 168000 nM Poor binder T17345 Dihydrofolate reductase BM2W4J 1,8-Naphthalein derivative, 9 Investigative 23648073 C24H14I2O4 620.2 C1=CC2=C3C(=C1)C(=O)OC(C3=CC=C2)(C4=CC(=C(C=C4)O)I)C5=CC(=C(C=C5)O)I Ki = 94000 nM Poor binder T17345 Dihydrofolate reductase BMA9X7 2,4-Pyrimidinediamine, 6-methyl-5-(1-naphthalenyl)- Investigative 12214236 C15H14N4 250.3 CC1=C(C(=NC(=N1)N)N)C2=CC=CC3=CC=CC=C32 Ki = 56000 nM Poor binder T17345 Dihydrofolate reductase BN5QZ6 PF-DcpSi Investigative 132574708 C16H12FN5O 309.3 C1=CC(=C2C(=C1)N=C(N=C2N)N)COC3=CC(=CC(=C3)C#N)F IC50 = 52000 nM Poor binder T17345 Dihydrofolate reductase BO14FE 1,1-Bis(3,5-dibromo-4-hydroxy-phenyl)benzo[e]isobenzofuran-3-one Investigative 16086914 C24H12Br4O4 684 C1=CC=C2C(=C1)C=CC3=C2C(OC3=O)(C4=CC(=C(C(=C4)Br)O)Br)C5=CC(=C(C(=C5)Br)O)Br Ki = 69000 nM Poor binder T17345 Dihydrofolate reductase BO2CR9 Chembl4162075 Investigative 129906767 C16H14ClN5O 327.77 C1=CC(=CC(=C1)Cl)COC2=CC=C(C=C2)C3=NC(=NC(=N3)N)N IC50 = 72490 nM Poor binder T17345 Dihydrofolate reductase BOMZ50 2,4-Diaminofuro[2,3-d]pyrimidine, 12 Investigative 44246329 C19H24N4O2 340.4 CC(C)CC(CC1=COC2=NC(=NC(=C12)N)N)C3=CC=CC=C3OC IC50 = 62700 nM Poor binder T17345 Dihydrofolate reductase BON5D9 5-[(2,4-Difluorophenoxy)methyl]quinazoline-2,4-diamine Investigative 11645134 C15H12F2N4O 302.28 C1=CC(=C2C(=C1)N=C(N=C2N)N)COC3=C(C=C(C=C3)F)F IC50 ~ 50000 nM Poor binder T17345 Dihydrofolate reductase BPF4D3 7-Amino-1,2,3-trimethyl-2,8-dihydro-2,5,6,8-tetraaza-cyclopenta[a]naphthalen-9-one Investigative 135469335 C12H13N5O 243.26 CC1=C2C=NC3=C(C2=C(N1C)C)C(=O)NC(=N3)N IC50 ~ 95000 nM Poor binder T17345 Dihydrofolate reductase BQ10MG 5-[7-Methoxy-4-(3-nitro-phenyl)-3,4-dihydro-1H-isoquinolin-2-ylmethyl]-pyrimidine-2,4-diamine Investigative 10884015 C21H22N6O3 406.4 COC1=CC2=C(C=C1)C(CN(C2)CC3=CN=C(N=C3N)N)C4=CC(=CC=C4)[N+](=O)[O-] IC50 = 100000 nM Poor binder T17345 Dihydrofolate reductase BQ35WH 5-(4-Morpholin-4-YL-phenylsulfanyl)-2,4-quinazolinediamine Investigative 3534 C18H19N5OS 353.4 C1COCCN1C2=CC=C(C=C2)SC3=CC=CC4=C3C(=NC(=N4)N)N IC50 = 70000 nM Poor binder T17345 Dihydrofolate reductase BR7P1L 2,4-Diamino-6-[N-(3',5'-dimethoxybenzyl)amino]pyrido-[2,3-d]pyrimidine Investigative 479418 C16H18N6O2 326.35 COC1=CC(=CC(=C1)CNC2=CC3=C(N=C(N=C3N=C2)N)N)OC IC50 = 160000 nM Poor binder T17345 Dihydrofolate reductase BS4AV9 5-[(3-Fluorophenoxy)methyl]quinazoline-2,4-diamine Investigative 137637328 C15H13FN4O 284.29 C1=CC(=CC(=C1)F)OCC2=C3C(=CC=C2)N=C(N=C3N)N IC50 ~ 50000 nM Poor binder T17345 Dihydrofolate reductase BSIO95 2,4-Diaminofuro[2,3-d]pyrimidine, 11 Investigative 44246328 C19H24N4O2 340.4 CCCCC(CC1=COC2=NC(=NC(=C12)N)N)C3=CC=CC=C3OC IC50 = 93900 nM Poor binder T17345 Dihydrofolate reductase BT8LR2 2-[4-(7-Amino-9-oxo-8,9-dihydro-2,5,6,8-tetraaza-cyclopenta[a]naphthalen-2-yl)-benzoylamino]-pentanedioic acid Investigative 135545819 C21H18N6O6 450.4 C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N2C=C3C=NC4=C(C3=C2)C(=O)NC(=N4)N IC50 ~ 80000 nM Poor binder T17345 Dihydrofolate reductase BTQ70E 5-[2-(2-Methoxyphenyl)-4-methylpent-1-enyl]furo[2,3-d]pyrimidine-2,4-diamine Investigative 52946619 C19H22N4O2 338.4 CC(C)CC(=CC1=COC2=NC(=NC(=C12)N)N)C3=CC=CC=C3OC IC50 = 86500 nM Poor binder T17345 Dihydrofolate reductase BU2K3W 5-[(4-Methylphenyl)methyl]-1,3,5-triazaspiro[5.6]dodeca-1,3-diene-2,4-diamine;hydrochloride Investigative 56682333 C17H26ClN5 335.9 CC1=CC=C(C=C1)CN2C(=NC(=NC23CCCCCC3)N)N.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase BUP4T3 5-[(3,4-Dichlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride Investigative 44529841 C15H20Cl3N5 376.7 C1CCC2(CC1)N=C(N=C(N2CC3=CC(=C(C=C3)Cl)Cl)N)N.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase BUQI14 2-Amino-5-(3,4-dichlorophenylthio)-6-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one Investigative 135543610 C13H10Cl2N4OS 341.2 CC1=C(C2=C(N1)N=C(NC2=O)N)SC3=CC(=C(C=C3)Cl)Cl IC50 ~ 62000 nM Poor binder T17345 Dihydrofolate reductase BV40NF 5-[(4-Fluorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride Investigative 56665411 C15H21ClFN5 325.81 C1CCC2(CC1)N=C(N=C(N2CC3=CC=C(C=C3)F)N)N.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase BV7X3N 1-[(4-Chlorophenyl)methyl]-6-cyclopropyl-6-methyl-1,3,5-triazine-2,4-diamine;hydrochloride Investigative 56658454 C14H19Cl2N5 328.2 CC1(N=C(N=C(N1CC2=CC=C(C=C2)Cl)N)N)C3CC3.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase BV89OJ 3-Chloro-N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)-1-benzothiophene-2-carboxamide Investigative 71520360 C21H10ClNO4S 407.8 C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC4=C5C(=C3)C=CC=C5C(=O)OC4=O)Cl Ki ~ 55000 nM Poor binder T17345 Dihydrofolate reductase BV9WU8 N-(2,4-Dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)-3-nitrobenzamide Investigative 71521660 C19H10N2O6 362.3 C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] Ki ~ 110000 nM Poor binder T17345 Dihydrofolate reductase BVY59J 6-N-[(3,4,5-Trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine Investigative 479412 C17H20N6O3 356.4 COC1=CC(=CC(=C1OC)OC)CNC2=CC3=C(N=C(N=C3N=C2)N)N IC50 = 76000 nM Poor binder T17345 Dihydrofolate reductase BX4L6O (E)-1-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-3-phenylprop-2-en-1-one;hydrochloride Investigative 127032513 C20H22ClN5O 383.9 CC1(N=C(N=C(N1C2=CC=C(C=C2)C(=O)/C=C/C3=CC=CC=C3)N)N)C.Cl IC50 = 56400 nM Poor binder T17345 Dihydrofolate reductase BX51IL N-(4-((3-(2,4-Diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl)amino)benzoyl)glutamic acid Investigative 135407589 C19H24N6O6 432.4 C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCCC2=C(N=C(NC2=O)N)N IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase BY7E5Z 4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzamide Investigative 135855764 C19H17N5O2 347.4 C#CCN(CC1=CC2=C(C=C1)N=C(NC2=O)N)C3=CC=C(C=C3)C(=O)N IC50 = 72600 nM Poor binder T17345 Dihydrofolate reductase BYLK08 2-Amino-6-phenyl-3,7-dihydropyrimido[4,5-b][1,4]oxazin-4-one Investigative 12242322 C12H10N4O2 242.23 C1C(=NC2=C(O1)N=C(NC2=O)N)C3=CC=CC=C3 IC50 = 57000 nM Poor binder T17345 Dihydrofolate reductase BZ20MA 5-(1,3,4,9-Tetrahydro-beta-carbolin-2-ylmethyl)-pyrimidine-2,4-diamine Investigative 11822511 C16H18N6 294.35 C1CN(CC2=C1C3=CC=CC=C3N2)CC4=CN=C(N=C4N)N IC50 = 180000 nM Poor binder T17345 Dihydrofolate reductase BZ85YV 5-[(4-Chlorophenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride Investigative 56665413 C15H21Cl2N5 342.3 C1CCC2(CC1)N=C(N=C(N2CC3=CC=C(C=C3)Cl)N)N.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase BZ8E9Y 10-[(4-Chlorophenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride Investigative 56665409 C14H19Cl2N5 328.2 C1CCC2(C1)N=C(N=C(N2CC3=CC=C(C=C3)Cl)N)N.Cl IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase D06ERH CHALCONE Investigative 637760 C15H12O 208.25 C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2 IC50 ~ 100000 nM Poor binder T17345 Dihydrofolate reductase D0ZG7W Abbott 14c Investigative 11441554 C23H28N6O2 420.5 CC(C)(C)NC(=O)NC1=CC=C(C=C1)C2=C(N=C(N=C2N)N)COCC3=CC=CC=C3 IC50 ~ 100000 nM Poor binder