TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T89697 Indoleamine 2,3-dioxygenase 1 B0GR8K (5Ar,6R)-2-fluoro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one Investigative 76327994 C15H11FN2O2 270.26 C1=CC=C2C(=C1)[C@H]([C@H]3N2C(=O)C4=C(N3)C=CC(=C4)F)O IC50 = 451000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B0HUX5 2-Hydroxy-1,4-naphthoquinone Investigative 6755 C10H6O3 174.15 C1=CC=C2C(=C1)C(=CC(=O)C2=O)O IC50 = 675000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B0NGK4 4-(1H-Phenanthro[9,10-d]imidazol-2-yl)-phenol Investigative 763555 C21H14N2O 310.3 C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2NC(=N4)C5=CC=C(C=C5)O IC50 = 522000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B0PIT1 Harmol Investigative 68094 C12H10N2O 198.22 CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1 IC50 = 2000000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B1KFI3 S-Hexyl-brassinin Investigative 44406812 C16H22N2S2 306.5 CCCCCCSC(=S)NCC1=CC2=CC=CC=C2N1 Ki = 363600 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B1MOH5 2-(2-Fluorophenyl)-1H-phenanthro[9,10-d]imidazole Investigative 4099901 C21H13FN2 312.3 C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2NC(=N4)C5=CC=CC=C5F IC50 = 231000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B1TY5Q 3-Methyl-2-(1H-1,2,3-triazol-4-yl)aniline Investigative 60154728 C9H10N4 174.2 CC1=C(C(=CC=C1)N)C2=NNN=C2 IC50 = 1200000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B1XA4G 4-(1H-Imidazol-5-yl)pyridine Investigative 10909696 C8H7N3 145.16 C1=CN=CC=C1C2=CN=CN2 IC50 = 1800000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B4H5BN Ethyl 1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate Investigative 2825091 C11H10ClN3O2 251.67 CCOC(=O)C1=CN(N=N1)C2=CC=C(C=C2)Cl IC50 = 2000000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B4JV1X N-Phenyl-p-phenylenediamine Investigative 7564 C12H12N2 184.24 C1=CC=C(C=C1)NC2=CC=C(C=C2)N IC50 = 400000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B4X6WK 9H-Fluoren-9-ol Investigative 74318 C13H10O 182.22 C1=CC=C2C(=C1)C(C3=CC=CC=C32)O IC50 > 1000000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B60VFB 1H-Indole, 3-[(2-methyl-4-thiazolyl)methyl]- Investigative 11673059 C13H12N2S 228.31 CC1=NC(=CS1)CC2=CNC3=CC=CC=C32 Ki = 328700 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B6YNX4 2-(2-Methylphenyl)-1H-phenanthro[9,10-d]imidazole Investigative 334304 C22H16N2 308.4 CC1=CC=CC=C1C2=NC3=C(N2)C4=CC=CC=C4C5=CC=CC=C53 IC50 = 512000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B70SPT 2-Amino-4-phenylthiazole Investigative 40302 C9H8N2S 176.24 C1=CC=C(C=C1)C2=CSC(=N2)N IC50 = 1000000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B8AKN4 Benzophenone Investigative 3102 C13H10O 182.22 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 IC50 = 1000000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B8VJ5Z 4-Hydroxycarbazole Investigative 104251 C12H9NO 183.21 C1=CC=C2C(=C1)C3=C(N2)C=CC=C3O IC50 = 400000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B8WR5Z 4-(2,6-Dimethoxyphenyl)-1H-imidazole Investigative 24971333 C11H12N2O2 204.22 COC1=C(C(=CC=C1)OC)C2=CN=CN2 IC50 = 734000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B92IDV N-(1H-Indol-3-ylmethyl)propanethioamide Investigative 11701328 C12H14N2S 218.32 CCC(=S)NCC1=CNC2=CC=CC=C21 Ki = 202000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B98BFL 4-(Dimethylamino)naphthalen-1-ol Investigative 17995458 C12H13NO 187.24 CN(C)C1=CC=C(C2=CC=CC=C21)O IC50 = 1000000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B9IW5D 3-(1H-1,2,3-Triazol-4-yl)pyridine Investigative 9833992 C7H6N4 146.15 C1=CC(=CN=C1)C2=NNN=C2 IC50 = 680000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 B9VJZ7 (NE)-N-(2-phenyl-1,2-dihydroindol-3-ylidene)hydroxylamine Investigative 137632598 C14H12N2O 224.26 C1=CC=C(C=C1)C2/C(=N/O)/C3=CC=CC=C3N2 IC50 = 510000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BA1JE6 2-(3-Bromoanilino)acetohydrazide Investigative 302654 C8H10BrN3O 244.09 C1=CC(=CC(=C1)Br)NCC(=O)NN IC50 = 1000000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BA58QS 4-Nitro-5-(4-nitro-phenyl)-1H-[1,2,3]triazole Investigative 12240982 C8H5N5O4 235.16 C1=CC(=CC=C1C2=NNN=C2[N+](=O)[O-])[N+](=O)[O-] IC50 = 533000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BA9OM2 N,N-Dimethyl-1-(4-phenylthiazol-2-ylthio)methanamine Investigative 44465944 C12H14N2S2 250.4 CN(C)CSC1=NC(=CS1)C2=CC=CC=C2 IC50 > 1000000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BADT32 1-(3,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol Investigative 20525178 C11H10Cl2N2O 257.11 C1=CC(=C(C=C1C(CN2C=CN=C2)O)Cl)Cl IC50 = 830000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BB0Y9M 2,2,2-Trifluoro-N-[3-methyl-2-(2H-triazol-4-yl)phenyl]acetamide Investigative 60154729 C11H9F3N4O 270.21 CC1=C(C(=CC=C1)NC(=O)C(F)(F)F)C2=NNN=C2 IC50 = 3000000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BB7Y9L 3-Hydroxybenzophenone Investigative 83050 C13H10O2 198.22 C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)O IC50 = 500000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BCG3X8 4-(4-Chlorophenyl)-1H-1,2,3-triazole Investigative 601577 C8H6ClN3 179.6 C1=CC(=CC=C1C2=NNN=C2)Cl IC50 = 530000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BDQ67W 4-(1H-Indol-3-ylmethyl)-1,3-thiazole Investigative 11528610 C12H10N2S 214.29 C1=CC=C2C(=C1)C(=CN2)CC3=CSC=N3 Ki = 1292000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BE2N1V 1-[2-(2,4-Dichlorophenyl)ethyl]-1H-imidazole Investigative 21798789 C11H10Cl2N2 241.11 C1=CC(=C(C=C1Cl)Cl)CCN2C=CN=C2 IC50 = 820000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BEWT39 4-(2-Thienyl)-1H-imidazole Investigative 11423685 C7H6N2S 150.2 C1=CSC(=C1)C2=CN=CN2 IC50 = 422000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BF0GZ2 4-(4-Methoxyphenyl)-1H-1,2,3-triazole Investigative 600260 C9H9N3O 175.19 COC1=CC=C(C=C1)C2=NNN=C2 IC50 = 6000000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BGQ73E 4-Chloroaniline Investigative 7812 C6H6ClN 127.57 C1=CC(=CC=C1N)Cl IC50 = 1319000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BH0G3I 2-Phenoxyaniline Investigative 75899 C12H11NO 185.22 C1=CC=C(C=C1)OC2=CC=CC=C2N IC50 > 1000000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BHK9P8 1-[(2,4-Dichlorophenyl)methyl]imidazole Investigative 3161266 C10H8Cl2N2 227.09 C1=CC(=C(C=C1Cl)Cl)CN2C=CN=C2 IC50 = 310000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BJ1HD7 N-Methyl-2-(1H-1,2,3-triazol-4-yl)aniline Investigative 60156096 C9H10N4 174.2 CNC1=CC=CC=C1C2=NNN=C2 IC50 = 1800000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BJ95WT 2-Fluoroindolo[2,1-b]quinazoline-6,12-dione Investigative 478645 C15H7FN2O2 266.23 C1=CC=C2C(=C1)C(=O)C3=NC4=C(C=C(C=C4)F)C(=O)N23 IC50 = 864400 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BJT95Q 4-Iodo-5-phenyl-2H-triazole Investigative 46834223 C8H6IN3 271.06 C1=CC=C(C=C1)C2=NNN=C2I IC50 = 1371000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BKQR79 2-[(2,4-Dichlorophenyl)methylsulfanyl]-6-methyl-5H-pyrimidin-4-one Investigative 125315466 C12H10Cl2N2OS 301.2 CC1=NC(=NC(=O)C1)SCC2=C(C=C(C=C2)Cl)Cl IC50 = 217000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BKSM07 Avicennol Investigative 15118768 C20H22O5 342.4 CC1(C=CC2=C(O1)C3=C(C(=C2OC)/C=C/C(C)(C)O)OC(=O)C=C3)C Ki = 635000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BL94MQ 2,2'-Dithiobisbenzothiazole Investigative 8447 C14H8N2S4 332.5 C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3 IC50 > 500000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BLG7Z2 5h-Pyrido[3,4-b][1,4]benzothiazine Investigative 291128 C11H8N2S 200.26 C1=CC=C2C(=C1)NC3=C(S2)C=NC=C3 IC50 = 421600 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BN5M1C 9-Fluorenone Investigative 10241 C13H8O 180.2 C1=CC=C2C(=C1)C3=CC=CC=C3C2=O IC50 > 200000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BNM6D9 4-Methyl-3-(1H-1,2,3-triazol-4-yl)aniline Investigative 60154730 C9H10N4 174.2 CC1=C(C=C(C=C1)N)C2=NNN=C2 IC50 = 3200000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BP17ZU 3-Hydroxy-2-naphthoic acid Investigative 7104 C11H8O3 188.18 C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O IC50 = 1000000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BP9H1J 1-[2-(1H-Indol-3-yl)ethyl]-3-methylthiourea Investigative 2917429 C12H15N3S 233.33 CNC(=S)NCCC1=CNC2=CC=CC=C21 Ki = 342300 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BPG2W5 Methyl 3-aminonaphthalene-2-carboxylate Investigative 12471537 C12H11NO2 201.22 COC(=O)C1=CC2=CC=CC=C2C=C1N IC50 = 460000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BPX73H 1H-Benzotriazole Investigative 7220 C6H5N3 119.12 C1=CC2=NNN=C2C=C1 IC50 = 2570000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BQRH73 3-(1H-Imidazol-4-yl)benzaldehyde Investigative 10511388 C10H8N2O 172.18 C1=CC(=CC(=C1)C2=CN=CN2)C=O IC50 = 825000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BRE52L 2-Amino-6-nitrobenzothiazole Investigative 22704 C7H5N3O2S 195.2 C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N IC50 > 500000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BS1JA9 2-(1H-1,2,3-Triazol-4-yl)benzaldehyde Investigative 23332019 C9H7N3O 173.17 C1=CC=C(C(=C1)C=O)C2=NNN=C2 IC50 = 1300000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BS84QV 4-(4-Bromophenyl)-1H-1,2,3-triazole Investigative 6419341 C8H6BrN3 224.06 C1=CC(=CC=C1C2=NNN=C2)Br IC50 = 1256000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BS93TG 3-(1H-Imidazol-4-yl)phenol Investigative 24971332 C9H8N2O 160.17 C1=CC(=CC(=C1)O)C2=CN=CN2 IC50 = 365000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BU5KN1 1H-Imidazole, 5-[4-(methylthio)phenyl]- Investigative 20373984 C10H10N2S 190.27 CSC1=CC=C(C=C1)C2=CN=CN2 IC50 = 209000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BUFO10 [4-(1,4-Dioxido-1,2,4-benzotriazin-3-yl)aminobutyl]-(2S)-N-tert-butoxycarbonyl-2-amino-(1-methyl-indole-3-yl)propanamide Investigative 135899518 C28H35N7O5 549.6 CC(C)(C)OC(=O)N[C@@H](CC1=CN(C2=CC=CC=C21)C)C(=O)NCCCCNC3=[N+](C4=CC=CC=C4[N+](=N3)[O-])[O-] Ki = 367000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BUTH58 Brassinin derivative, 11 Investigative 11629967 C11H15NS2 225.4 CN(CCC1=CC=CC=C1)C(=S)SC Ki = 1267000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BV7U2S 4-(1H-Imidazol-4-yl)phenol Investigative 12463137 C9H8N2O 160.17 C1=CC(=CC=C1C2=CN=CN2)O IC50 = 1200000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BW19TB (S)-2-Amino-3-hydroxy-N-(4-hydroxynaphthalen-1-yl)propanamide Investigative 44465950 C13H14N2O3 246.26 C1=CC=C2C(=C1)C(=CC=C2O)NC(=O)[C@H](CO)N IC50 = 400000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BXD63P 1-Oxo-2-phenyl-1h-inden-3-yl acetate Investigative 291217 C17H12O3 264.27 CC(=O)OC1=C(C(=O)C2=CC=CC=C21)C3=CC=CC=C3 IC50 = 266000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BXZ2A6 4-Bromo-5-(4-methylphenyl)-2H-triazole Investigative 18506325 C9H8BrN3 238.08 CC1=CC=C(C=C1)C2=NNN=C2Br IC50 = 1028000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 BZ0Y8G 4-(4-(Trifluoromethyl)phenyl)-1H-1,2,3-triazole Investigative 9899224 C9H6F3N3 213.16 C1=CC(=CC=C1C2=NNN=C2)C(F)(F)F IC50 = 2300000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 D02ADV 5-p-Tolyl-1H-[1,2,3]triazole Investigative 594397 C9H9N3 159.19 CC1=CC=C(C=C1)C2=NNN=C2 IC50 = 1000000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 D07NYX BENZOTHIAZOLE Investigative 7222 C7H5NS 135.19 C1=CC=C2C(=C1)N=CS2 IC50 = 652000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 D0FO2B OXYQUINOLINE Investigative 1923 C9H7NO 145.16 C1=CC2=C(C(=C1)O)N=CC=C2 IC50 = 750000 nM Non binder T89697 Indoleamine 2,3-dioxygenase 1 D0V8FG 4-nitrobenzo[c][1,2,5]thiadiazole Investigative 81062 C6H3N3O2S 181.17 C1=CC2=NSN=C2C(=C1)[N+](=O)[O-] IC50 = 320000 nM Non binder