TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T16308	Rotamase Pin1	B2UTD6	5-Methyl-2-phenyl-1H-imidazole-4-carboxylic acid	Investigative	120065	C11H10N2O2	202.21	CC1=C(N=C(N1)C2=CC=CC=C2)C(=O)O	IC50 = 360000 nM	Non binder
T16308	Rotamase Pin1	B62QOK	2-(3-Methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid	Investigative	45157073	C12H12N2O3	232.23	CC1=C(N=C(N1)C2=CC(=CC=C2)OC)C(=O)O	IC50 = 270000 nM	Non binder
T16308	Rotamase Pin1	B6S4CZ	Procodazole	Investigative	65708	C10H10N2O2	190.2	C1=CC=C2C(=C1)NC(=N2)CCC(=O)O	IC50 = 740000 nM	Non binder
T16308	Rotamase Pin1	B6TSF3	3-(1H-Indol-2-yl)propanoic acid	Investigative	13154044	C11H11NO2	189.21	C1=CC=C2C(=C1)C=C(N2)CCC(=O)O	IC50 = 450000 nM	Non binder
T16308	Rotamase Pin1	B7P0OB	5-(2-Methoxyphenyl)-2-furoic acid	Investigative	776315	C12H10O4	218.2	COC1=CC=CC=C1C2=CC=C(O2)C(=O)O	IC50 > 1000000 nM	Non binder
T16308	Rotamase Pin1	B9RG1D	3-[(3R,6S,9S,12S,15S,18S,21S,24S)-6,9,15,18-Tetrakis[3-(diaminomethylideneamino)propyl]-3-[(1R)-1-hydroxyethyl]-21-(naphthalen-2-ylmethyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazabicyclo[22.4.0]octacosan-12-yl]propanamide	Investigative	46884400	C52H83N21O10	1162.4	C[C@H]([C@@H]1C(=O)N2CCCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3)O	IC50 > 300000 nM	Non binder
T16308	Rotamase Pin1	BDEB85	(R)-2-(2-Naphthamido)-3-(2-cyanophenyl)propanoic acid	Investigative	46883949	C21H16N2O3	344.4	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CC=CC=C3C#N)C(=O)O	Ki = 351000 nM	Non binder
T16308	Rotamase Pin1	BGC12J	3-[(3R,6R,9R,12S,15R,18R,21R,24R,27S,30S)-6,9,15,18,21,24-Hexakis[3-(diaminomethylideneamino)propyl]-3-[(1R)-1-hydroxyethyl]-27-(naphthalen-2-ylmethyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.4.0]tetratriacontan-12-yl]propanamide	Investigative	46884399	C64H107N29O12	1474.7	C[C@H]([C@@H]1C(=O)N2CCCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3)O	IC50 > 300000 nM	Non binder
T16308	Rotamase Pin1	BGR2C9	4-(Benzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid	Investigative	52946755	C18H15N3O3	321.3	C1=CC=C(C=C1)CNC(=O)C2=C(NC(=N2)C3=CC=CC=C3)C(=O)O	IC50 = 220000 nM	Non binder
T16308	Rotamase Pin1	BJ7T0G	N-Ethyl-5-methyl-1H-benzo[d]imidazole-2-carboxamide	Investigative	46227819	C11H13N3O	203.24	CCNC(=O)C1=NC2=C(N1)C=C(C=C2)C	IC50 > 2000000 nM	Non binder
T16308	Rotamase Pin1	BRY57K	[(1R)-1-[(3R,6R,9R,12S,15S,18S,21S)-12-(3-Amino-3-oxopropyl)-6,9,15-tris[3-(diaminomethylideneamino)propyl]-18-(naphthalen-2-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-3-yl]ethyl] dihydrogen phosphate	Investigative	46884398	C45H70N17O12P	1072.1	C[C@H]([C@@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3)OP(=O)(O)O	IC50 > 300000 nM	Non binder
T16308	Rotamase Pin1	BT5G7Q	6-Methyl-1H-indole-2-carboxylic acid	Investigative	3163396	C10H9NO2	175.18	CC1=CC2=C(C=C1)C=C(N2)C(=O)O	IC50 = 630000 nM	Non binder
T16308	Rotamase Pin1	BU3CV2	5-Pyridin-2-yl-1H-pyrazole-3-carboxylic acid	Investigative	665156	C9H7N3O2	189.17	C1=CC=NC(=C1)C2=NNC(=C2)C(=O)O	IC50 = 720000 nM	Non binder
T16308	Rotamase Pin1	D06ZWX	cycloheximide	Investigative	6197	C15H23NO4	281.35	C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C	Ki > 200000 nM	Non binder