TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T61484 Chymotrypsin C B08IVX 3-(4-Hydroxy-benzyl)-5-trifluoromethyl-pyran-2-one Investigative 13660350 C13H9F3O3 270.2 C1=CC(=CC=C1CC2=CC(=COC2=O)C(F)(F)F)O Ki = 1610000 nM Non binder T61484 Chymotrypsin C B0IK7T 2-Chloro-benzenesulfonic acid 3-(3-guanidino-propoxy)-5-methyl-phenyl ester Investigative 44287937 C17H20ClN3O4S 397.9 CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCCN=C(N)N Ki > 200000 nM Non binder T61484 Chymotrypsin C B19XPJ 4-Hydroxy-6-methyl-2-pyrone Investigative 54675757 C6H6O3 126.11 CC1=CC(=CC(=O)O1)O Ki = 6309573.44 nM Non binder T61484 Chymotrypsin C B1UMR9 {2-Oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester Investigative 10004044 C21H22F3N3O5 453.4 CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C=CC=C(C1=O)NC(=O)OCC2=CC=CC=C2 Ki = 330000 nM Non binder T61484 Chymotrypsinogen B B20PRC (S)-3-Acetylamino-2-fluoro-4-phenyl-butyric acid methyl ester Investigative 44298715 C13H16FNO3 253.27 CC(=O)N[C@@H](CC1=CC=CC=C1)C(C(=O)OC)F Ki = 6440000 nM Non binder T61484 Chymotrypsin C B2FL3D 2-Chlorobenzenesulfonic acid 3-methyl-5-(1-amidinopiperidine-4-ylmethoxy)phenyl ester Investigative 9910982 C20H24ClN3O4S 437.9 CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCC3CCN(CC3)C(=N)N Ki > 200000 nM Non binder T61484 Chymotrypsin C B3KSE4 4-Hydroxy-3,6-dimethyl-2H-pyran-2-one Investigative 54690337 C7H8O3 140.14 CC1=CC(=C(C(=O)O1)C)O Ki = 3467368.5 nM Non binder T61484 Chymotrypsin C B46AZD 3-Naphthalen-1-ylmethyl-pyran-2-one Investigative 13615458 C16H12O2 236.26 C1=CC=C2C(=C1)C=CC=C2CC3=CC=COC3=O Ki = 324000 nM Non binder T61484 Chymotrypsin C B4GKT8 3-Ethyl-6-chloro-2-pyranone Investigative 13615444 C7H7ClO2 158.58 CCC1=CC=C(OC1=O)Cl Ki = 785000 nM Non binder T61484 Chymotrypsinogen B B4ZFI3 N-((S)-1-Mercaptomethyl-2-phenyl-ethyl)-acetamide Investigative 16723297 C11H15NOS 209.31 CC(=O)N[C@@H](CC1=CC=CC=C1)CS IC50 > 800000 nM Non binder T61484 Chymotrypsin C B5HEC6 3-n-Butyl-6-chloro-2-pyranone Investigative 13615449 C9H11ClO2 186.63 CCCCC1=CC=C(OC1=O)Cl Ki = 1980000 nM Non binder T61484 Chymotrypsin C B64JTF [3,5-Dibutyl-2-(3-methyloxiran-2-yl)-6-oxopyran-4-yl] acetate Investigative 23276169 C18H26O5 322.4 CCCCC1=C(OC(=O)C(=C1OC(=O)C)CCCC)C2C(O2)C Ki = 501187.23 nM Non binder T61484 Chymotrypsin C B6EYW8 N-{2-[(2-Acetylamino-propionyl)-hydrazono]-ethyl}-benzamide Investigative 14542109 C14H18N4O3 290.32 C[C@@H](C(=O)N/N=C/CNC(=O)C1=CC=CC=C1)NC(=O)C Ki > 8000000 nM Non binder T61484 Chymotrypsin C B6JAR4 3,5-Dibutyl-4-hydroxy-6-[(E)-1-phenylprop-1-enyl]pyran-2-one Investigative 54733674 C22H28O3 340.5 CCCCC1=C(C(=C(OC1=O)/C(=C/C)/C2=CC=CC=C2)CCCC)O Ki = 323593.66 nM Non binder T61484 Chymotrypsin C B7R3JX 3,5-Dibutyl-4-hydroxy-6-(2-oxopropyl)pyran-2-one Investigative 54694053 C16H24O4 280.36 CCCCC1=C(OC(=O)C(=C1O)CCCC)CC(=O)C Ki = 8128305.16 nM Non binder T61484 Chymotrypsin C B7VOI8 2-Thioxo-4-oxo-5-[(Z)-2-fluoro-5-nitrobenzylidene]thiazolidine-3-acetic acid Investigative 6475892 C12H7FN2O5S2 342.3 C1=CC(=C(C=C1[N+](=O)[O-])/C=C\\2/C(=O)N(C(=S)S2)CC(=O)O)F IC50 > 200000 nM Non binder T61484 Chymotrypsin C B8A5NH [3,5-Dibutyl-2-oxo-6-(2-oxopropyl)pyran-4-yl] acetate Investigative 23276168 C18H26O5 322.4 CCCCC1=C(OC(=O)C(=C1OC(=O)C)CCCC)CC(=O)C Ki = 660693.45 nM Non binder T61484 Chymotrypsinogen B B8ENF0 Cbz-D-phenylalaninol Investigative 736170 C17H19NO3 285.34 C1=CC=C(C=C1)C[C@H](CO)NC(=O)OCC2=CC=CC=C2 IC50 > 3000000 nM Non binder T61484 Chymotrypsin C B8TOS5 N-[(2R)-3-(3-Aminopropylsulfanyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide Investigative 12047384 C24H40N4O4S2 512.7 CC1(CC2=C(C(=CC=C2)S(=O)(=O)N[C@@H](CSCCCN)C(=O)N3CCC(CC3)CCO)NC1)C Ki = 384000 nM Non binder T61484 Chymotrypsin C BA7HD9 4-Hydroxy-3-methyl-6-phenacylpyran-2-one Investigative 54733673 C14H12O4 244.24 CC1=C(C=C(OC1=O)CC(=O)C2=CC=CC=C2)O Ki = 512861.38 nM Non binder T61484 Chymotrypsinogen B BB12OY Methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate Investigative 10383359 C20H20N2O4 352.4 COC(=O)CN1CC(C1=O)(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 Ki = 300000 nM Non binder T61484 Chymotrypsinogen B BBZV19 N-((S)-1-Benzyl-2,2-difluoro-but-3-enyl)-acetamide Investigative 44298765 C13H15F2NO 239.26 CC(=O)N[C@@H](CC1=CC=CC=C1)C(C=C)(F)F Ki = 460000 nM Non binder T61484 Chymotrypsin C BC3YZ5 Phenol, 4-[2-(3-bromophenyl)diazenyl]- Investigative 135843141 C12H9BrN2O 277.12 C1=CC(=CC(=C1)Br)N=NC2=CC=C(C=C2)O IC50 = 220000 nM Non binder T61484 Chymotrypsin C BCN3P5 2H-Pyran-2-one, 6-chloro-4-phenyl- Investigative 13615450 C11H7ClO2 206.62 C1=CC=C(C=C1)C2=CC(=O)OC(=C2)Cl Ki = 382000 nM Non binder T61484 Chymotrypsin C BET3R4 2H-Pyran-2-one, 5-(phenylmethyl)- Investigative 44270798 C12H10O2 186.21 C1=CC=C(C=C1)CC2=COC(=O)C=C2 Ki = 295000 nM Non binder T61484 Chymotrypsin C BF31UI 3-Benzyl-5-bromo-2-pyranone Investigative 13660353 C12H9BrO2 265.1 C1=CC=C(C=C1)CC2=CC(=COC2=O)Br Ki = 687000 nM Non binder T61484 Chymotrypsin C BGMP70 3-Fluoren-9-ylidenemethyl-piperidine Investigative 20778639 C19H19N 261.399 C1CC(CNC1)C=C2C3=CC=CC=C3C4=CC=CC=C42 IC50 = 700000 nM Non binder T61484 Chymotrypsin C BGQS24 3-Benzyl-5-chloromethyl-pyran-2-one Investigative 13660339 C13H11ClO2 234.68 C1=CC=C(C=C1)CC2=CC(=COC2=O)CCl Ki = 412000 nM Non binder T61484 Chymotrypsinogen B BH8L9O 1-Benzoyl-pyrrolidine-2-carboxylic acid ((S)-1-(R)-oxiranyl-2-phenyl-ethyl)-amide Investigative 44328511 C22H24N2O3 364.4 C1CC(N(C1)C(=O)C2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H]4CO4 Ki = 820000 nM Non binder T61484 Chymotrypsin C BI6SW3 3,5-Dibutyl-4-hydroxy-6-methylpyran-2-one Investigative 54694049 C14H22O3 238.32 CCCCC1=C(OC(=O)C(=C1O)CCCC)C Ki = 1348962.88 nM Non binder T61484 Chymotrypsinogen B BJL3Q4 Z-L-Phenylalaninol Investigative 853481 C17H19NO3 285.34 C1=CC=C(C=C1)C[C@@H](CO)NC(=O)OCC2=CC=CC=C2 IC50 > 3000000 nM Non binder T61484 Chymotrypsin C BKV5P9 4-Hydroxy-3,5-dimethyl-6-phenacylpyran-2-one Investigative 54694052 C15H14O4 258.269 CC1=C(OC(=O)C(=C1O)C)CC(=O)C2=CC=CC=C2 Ki = 691830.97 nM Non binder T61484 Chymotrypsin C BL5MH9 4-Hydroxy-3,5,6-trimethyl-2H-pyran-2-one Investigative 54694046 C8H10O3 154.16 CC1=C(OC(=O)C(=C1O)C)C Ki = 1819700.86 nM Non binder T61484 Chymotrypsin C BL6P4C 3-Benzyl-6-trifluoromethyl-pyran-2-one Investigative 13615457 C13H9F3O2 254.2 C1=CC=C(C=C1)CC2=CC=C(OC2=O)C(F)(F)F Ki = 927000 nM Non binder T61484 Chymotrypsin C BLX42T 2H-Pyran-2-one, 4-phenyl- Investigative 12207594 C11H8O2 172.18 C1=CC=C(C=C1)C2=CC(=O)OC=C2 Ki = 495000 nM Non binder T61484 Chymotrypsinogen B BMU43W Tert-butyl 2,3-dioxoindole-1-carboxylate Investigative 10060517 C13H13NO4 247.25 CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=O)C1=O Ki > 2000000 nM Non binder T61484 Chymotrypsin C BP1C5O 3-Naphthalen-2-ylmethyl-pyran-2-one Investigative 13615451 C16H12O2 236.26 C1=CC=C2C=C(C=CC2=C1)CC3=CC=COC3=O Ki = 267000 nM Non binder T61484 Chymotrypsin C BQ2U9E 4-Hydroxy-6-(2-oxo-2-phenylethyl)-2H-pyran-2-one Investigative 54694048 C13H10O4 230.22 C1=CC=C(C=C1)C(=O)CC2=CC(=CC(=O)O2)O Ki = 549540.87 nM Non binder T61484 Chymotrypsinogen B BQ9L6R (S)-2-{[(2S,4R)-1-((S)-2-{(S)-2-[(R)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-2-cyclohexyl-acetylamino}-3-methyl-butyryl)-4-(naphthalen-2-ylmethoxy)-pyrrolidine-2-carbonyl]-amino}-pentanoic acid Investigative 481437 C45H62N6O13 895 CCC[C@@H](C(=O)O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C2CCCCC2)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)OCC3=CC4=CC=CC=C4C=C3 IC50 > 300000 nM Non binder T61484 Chymotrypsin C BT9OX7 [3,5-Dibutyl-2-(2-hydroxypropyl)-6-oxopyran-4-yl] acetate Investigative 23276182 C18H28O5 324.4 CCCCC1=C(OC(=O)C(=C1OC(=O)C)CCCC)CC(C)O Ki = 707945.78 nM Non binder T61484 Chymotrypsin C BV9O7Y 3-(4-Methoxy-benzyl)-5-trifluoromethyl-pyran-2-one Investigative 13660349 C14H11F3O3 284.23 COC1=CC=C(C=C1)CC2=CC(=COC2=O)C(F)(F)F Ki = 893000 nM Non binder T61484 Chymotrypsin C BWA3N8 Elasnin Investigative 54685126 C24H40O4 392.6 CCCCCC(=O)C(CCCC)C1=C(C(=C(C(=O)O1)CCCC)O)CCCC Ki = 223872.11 nM Non binder T61484 Chymotrypsin C BZ1E6L 6-Chloro-3-naphthalen-2-ylmethyl-pyran-2-one Investigative 13615446 C16H11ClO2 270.71 C1=CC=C2C=C(C=CC2=C1)CC3=CC=C(OC3=O)Cl Ki = 625000 nM Non binder T61484 Chymotrypsin C BZ2RS8 3-Benzyl-5-trifluoromethyl-pyran-2-one Investigative 13660348 C13H9F3O2 254.2 C1=CC=C(C=C1)CC2=CC(=COC2=O)C(F)(F)F Ki = 470000 nM Non binder